2-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-3-isobutyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]thio]-3-(2-methylpropyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]thio]-3-isobutyl-6-keto-pyrimidin-4-olate Formula: C17H19ClN3O3S- MolecularWeight: 380.86906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CC(=O)N=C1SCC(=O)NCC2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

CC(C)CN1C(=CC(=O)N=C1SCC(=O)NCC2=CC=C(C=C2)Cl)[O-]

InChI

InChI=1S/C17H20ClN3O3S/c1-11(2)9-21-16(24)7-14(22)20-17(21)25-10-15(23)19-8-12-3-5-13(18)6-4-12/h3-7,11,24H,8-10H2,1-2H3,(H,19,23)/p-1