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

Systemtic Name: 2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-butoxyphenyl)ethanamide Openeye Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(4-butoxyphenyl)acetamide CAS Name: 2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]-N-(4-butoxyphenyl)acetamide IUPAC Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-butoxyphenyl)acetamide Traditional Name: 2-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]-N-(4-butoxyphenyl)acetamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C22H23ClN4O3S/c1-2-3-12-30-18-10-6-16(7-11-18)25-21(29)14-31-22-26-20(28)13-19(24)27(22)17-8-4-15(23)5-9-17/h4-11,13H,2-3,12,14,24H2,1H3,(H,25,29)