[(Z)-4-[2-(4-azanyl-2-methyl-pyrimidin-5-yl)ethanoylamino]-3-(furan-2-ylcarbonylsulfanyl)pent-3-enyl] 2-acetyloxyethanoate

Systemtic Name: [(Z)-4-[2-(4-azanyl-2-methyl-pyrimidin-5-yl)ethanoylamino]-3-(furan-2-ylcarbonylsulfanyl)pent-3-enyl] 2-acetyloxyethanoate Openeye Name: [(Z)-4-[[2-(4-amino-2-methyl-pyrimidin-5-yl)acetyl]amino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetoxyacetate CAS Name: 2-acetyloxyacetic acid [(Z)-4-[[2-(4-amino-2-methyl-5-pyrimidinyl)-1-oxoethyl]amino]-3-[[2-furanyl(oxo)methyl]thio]pent-3-enyl] ester IUPAC Name: [(Z)-4-[[2-(4-amino-2-methylpyrimidin-5-yl)acetyl]amino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetyloxyacetate Traditional Name: 2-acetoxyacetic acid [(Z)-4-[[2-(4-amino-2-methyl-pyrimidin-5-yl)acetyl]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)CC(=O)NC(=C(CCOC(=O)COC(=O)C)SC(=O)C2=CC=CO2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O7S/c1-12(24-18(27)9-15-10-23-13(2)25-20(15)22)17(33-21(29)16-5-4-7-30-16)6-8-31-19(28)11-32-14(3)26/h4-5,7,10H,6,8-9,11H2,1-3H3,(H,24,27)(H2,22,23,25)/b17-12-