N-(4-acetamidophenyl)-2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]acetamide Formula: C20H18ClN5O3S MolecularWeight: 443.90662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C20H18ClN5O3S/c1-12(27)23-14-4-6-15(7-5-14)24-19(29)11-30-20-25-18(28)10-17(22)26(20)16-8-2-13(21)3-9-16/h2-10H,11,22H2,1H3,(H,23,27)(H,24,29)