N-[4-(8-ethyl-6-methanoyl-5-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)piperazin-1-yl]carbothioylpyridine-3-carboxamide

Systemtic Name: N-[4-(8-ethyl-6-methanoyl-5-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)piperazin-1-yl]carbothioylpyridine-3-carboxamide Openeye Name: N-[4-(8-ethyl-6-formyl-5-oxo-pyrido[2,3-d]pyrimidin-2-yl)piperazine-1-carbothioyl]pyridine-3-carboxamide CAS Name: N-[[4-(8-ethyl-6-formyl-5-oxo-2-pyrido[2,3-d]pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[4-(8-ethyl-6-formyl-5-oxopyrido[2,3-d]pyrimidin-2-yl)piperazine-1-carbothioyl]pyridine-3-carboxamide Traditional Name: N-[4-(8-ethyl-6-formyl-5-keto-pyrido[2,3-d]pyrimidin-2-yl)piperazine-1-carbothioyl]nicotinamide Formula: C21H21N7O3S MolecularWeight: 451.50154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CN=CC=C4)C=O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CN=CC=C4)C=O

InChI

InChI=1S/C21H21N7O3S/c1-2-26-12-15(13-29)17(30)16-11-23-20(24-18(16)26)27-6-8-28(9-7-27)21(32)25-19(31)14-4-3-5-22-10-14/h3-5,10-13H,2,6-9H2,1H3,(H,25,31,32)