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

Systemtic Name: 2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H21ClN4O2S/c19-12-6-8-14(9-7-12)23-15(20)10-16(24)22-18(23)26-11-17(25)21-13-4-2-1-3-5-13/h6-10,13H,1-5,11,20H2,(H,21,25)