(phenylmethyl) 4-(8-cyano-6-ethyl-5-oxidanylidene-pyrido[4,3-d]pyrimidin-2-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(8-cyano-6-ethyl-5-oxidanylidene-pyrido[4,3-d]pyrimidin-2-yl)piperazine-1-carboxylate Openeye Name: benzyl 4-(8-cyano-6-ethyl-5-oxo-pyrido[4,3-d]pyrimidin-2-yl)piperazine-1-carboxylate CAS Name: 4-(8-cyano-6-ethyl-5-oxo-2-pyrido[4,3-d]pyrimidinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(8-cyano-6-ethyl-5-oxopyrido[4,3-d]pyrimidin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(8-cyano-6-ethyl-5-keto-pyrido[4,3-d]pyrimidin-2-yl)piperazine-1-carboxylic acid benzyl ester Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=NC(=NC=C2C1=O)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CCN1C=C(C2=NC(=NC=C2C1=O)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H22N6O3/c1-2-26-14-17(12-23)19-18(20(26)29)13-24-21(25-19)27-8-10-28(11-9-27)22(30)31-15-16-6-4-3-5-7-16/h3-7,13-14H,2,8-11,15H2,1H3