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

Systemtic Name: [(E)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-ethanoylsulfanyl-pent-3-enyl] ethanoate hydrochloride Openeye Name: [(E)-3-acetylsulfanyl-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] acetate hydrochloride CAS Name: acetic acid [(E)-3-(acetylthio)-4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]pent-3-enyl] ester hydrochloride IUPAC Name: [(E)-3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate hydrochloride Traditional Name: acetic acid [(E)-3-(acetylthio)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] ester hydrochloride Formula: C16H23ClN4O4S MolecularWeight: 402.89622

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S.ClH/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);1H/b15-10+;