[(E)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-ethanoylsulfanyl-pent-3-enyl] ethanoate

Systemtic Name: [(E)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-ethanoylsulfanyl-pent-3-enyl] ethanoate Openeye Name: [(E)-3-acetylsulfanyl-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] acetate CAS Name: acetic acid [(E)-3-(acetylthio)-4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]pent-3-enyl] ester IUPAC Name: [(E)-3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate Traditional Name: acetic acid [(E)-3-(acetylthio)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] ester Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C)SC(=O)C)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCOC(=O)C)/SC(=O)C)/C

InChI

InChI=1S/C16H22N4O4S/c1-10(15(25-13(4)23)5-6-24-12(3)22)20(9-21)8-14-7-18-11(2)19-16(14)17/h7,9H,5-6,8H2,1-4H3,(H2,17,18,19)/b15-10+