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

Systemtic Name: [(Z)-4-[2-(4-azanyl-2-methyl-pyrimidin-5-yl)ethanoylamino]-3-(phenylcarbonylsulfanyl)pent-3-enyl] benzoate Openeye Name: [(Z)-4-[[2-(4-amino-2-methyl-pyrimidin-5-yl)acetyl]amino]-3-benzoylsulfanyl-pent-3-enyl] benzoate CAS Name: benzoic acid [(Z)-4-[[2-(4-amino-2-methyl-5-pyrimidinyl)-1-oxoethyl]amino]-3-(benzoylthio)pent-3-enyl] ester IUPAC Name: [(Z)-4-[[2-(4-amino-2-methylpyrimidin-5-yl)acetyl]amino]-3-benzoylsulfanylpent-3-enyl] benzoate Traditional Name: benzoic acid [(Z)-4-[[2-(4-amino-2-methyl-pyrimidin-5-yl)acetyl]amino]-3-(benzoylthio)pent-3-enyl] ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CC(=O)NC(=C(CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CC(=O)N/C(=C(/CCOC(=O)C2=CC=CC=C2)\SC(=O)C3=CC=CC=C3)/C

InChI

InChI=1S/C26H26N4O4S/c1-17(29-23(31)15-21-16-28-18(2)30-24(21)27)22(35-26(33)20-11-7-4-8-12-20)13-14-34-25(32)19-9-5-3-6-10-19/h3-12,16H,13-15H2,1-2H3,(H,29,31)(H2,27,28,30)/b22-17-