6-azanyl-N-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)-4-oxidanylidene-1H-pyrimidine-5-carbothioamide

Systemtic Name: 6-azanyl-N-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)-4-oxidanylidene-1H-pyrimidine-5-carbothioamide Openeye Name: 6-amino-N-(4-chlorophenyl)-2-(4-methyl-1-piperidyl)-4-oxo-1H-pyrimidine-5-carbothioamide CAS Name: 6-amino-N-(4-chlorophenyl)-2-(4-methyl-1-piperidinyl)-4-oxo-1H-pyrimidine-5-carbothioamide IUPAC Name: 6-amino-N-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)-4-oxo-1H-pyrimidine-5-carbothioamide Traditional Name: 6-amino-N-(4-chlorophenyl)-4-keto-2-(4-methylpiperidino)-1H-pyrimidine-5-carbothioamide Formula: C17H20ClN5OS MolecularWeight: 377.8916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC(=O)C(=C(N2)N)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CCN(CC1)C2=NC(=O)C(=C(N2)N)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN5OS/c1-10-6-8-23(9-7-10)17-21-14(19)13(15(24)22-17)16(25)20-12-4-2-11(18)3-5-12/h2-5,10H,6-9H2,1H3,(H,20,25)(H3,19,21,22,24)