[(Z)-4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-3-[(E)-2-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-5-Butanoyloxy-Pent-2-En-3-Yl]Sulfanyl-Pent-3-Enyl] Butanoate
[CAS# 54690-41-4]

Identification

• Name: [(Z)-4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-3-[(E)-2-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-5-Butanoyloxy-Pent-2-En-3-Yl]Sulfanyl-Pent-3-Enyl] Butanoate
• Synonyms: [(Z)-4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-3-[(E)-2-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-1-(2-Butanoyloxyethyl)Prop-1-Enyl]Sulfanyl-Pent-3-Enyl] Butanoate; Butanoic Acid [(Z)-4-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl-Formylamino]-3-[[(E)-2-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl-Formylamino]-1-[2-(1-Oxobutoxy)Ethyl]Prop-1-Enyl]Thio]Pent-3-Enyl] Ester; Butyric Acid [(Z)-4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-3-[[(E)-2-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-1-(2-Butyryloxyethyl)Prop-1-Enyl]Thio]Pent-3-Enyl] Ester
• Molecular Formula: C₃₂H₄₆N₈O₆S
• Molecular Weight: 670.83
• CAS Registry Number: 54690-41-4
• SMILES: C2=C(CN(C(=C(SC(=C(N(CC1=CN=C(N=C1N)C)C=O)/C)/CCOC(=O)CCC)/CCOC(=O)CCC)\C)C=O)C(=NC(=N2)C)N
• InChI: 1S/C32H46N8O6S/c1-7-9-29(43)45-13-11-27(21(3)39(19-41)17-25-15-35-23(5)37-31(25)33)47-28(12-14-46-30(44)10-8-2)22(4)40(20-42)18-26-16-36-24(6)38-32(26)34/h15-16,19-20H,7-14,17-18H2,1-6H3,(H2,33,35,37)(H2,34,36,38)/b27-21-,28-22+
• InChIKey: LSOMRFPIYXYVTB-KKTFQPMKSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 885.514°C at 760 mmHg (Cal.)
• Flash point: 489.341°C (Cal.)