[(E)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-(furan-2-ylcarbonylsulfanyl)pent-3-enyl] 2-acetyloxyethanoate

Systemtic Name: [(E)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-(furan-2-ylcarbonylsulfanyl)pent-3-enyl] 2-acetyloxyethanoate Openeye Name: [(E)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetoxyacetate CAS Name: 2-acetyloxyacetic acid [(E)-4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-3-[[2-furanyl(oxo)methyl]thio]pent-3-enyl] ester IUPAC Name: [(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetyloxyacetate Traditional Name: 2-acetoxyacetic acid [(E)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-(2-furoylthio)pent-3-enyl] ester Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)COC(=O)C)SC(=O)C2=CC=CO2)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCOC(=O)COC(=O)C)/SC(=O)C2=CC=CO2)/C

InChI

InChI=1S/C21H24N4O7S/c1-13(25(12-26)10-16-9-23-14(2)24-20(16)22)18(33-21(29)17-5-4-7-30-17)6-8-31-19(28)11-32-15(3)27/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H2,22,23,24)/b18-13+