[(Z)-4-[2-(4-azanyl-2-methyl-pyrimidin-5-yl)ethanoylamino]-3-ethanoylsulfanyl-pent-3-enyl] ethanoate

Systemtic Name: [(Z)-4-[2-(4-azanyl-2-methyl-pyrimidin-5-yl)ethanoylamino]-3-ethanoylsulfanyl-pent-3-enyl] ethanoate Openeye Name: [(Z)-3-acetylsulfanyl-4-[[2-(4-amino-2-methyl-pyrimidin-5-yl)acetyl]amino]pent-3-enyl] acetate CAS Name: acetic acid [(Z)-3-(acetylthio)-4-[[2-(4-amino-2-methyl-5-pyrimidinyl)-1-oxoethyl]amino]pent-3-enyl] ester IUPAC Name: [(Z)-3-acetylsulfanyl-4-[[2-(4-amino-2-methylpyrimidin-5-yl)acetyl]amino]pent-3-enyl] acetate Traditional Name: acetic acid [(Z)-3-(acetylthio)-4-[[2-(4-amino-2-methyl-pyrimidin-5-yl)acetyl]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)CC(=O)NC(=C(CCOC(=O)C)SC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S/c1-9(14(25-12(4)22)5-6-24-11(3)21)19-15(23)7-13-8-18-10(2)20-16(13)17/h8H,5-7H2,1-4H3,(H,19,23)(H2,17,18,20)/b14-9-