ethyl 5-oxidanylidene-8-(phenylmethyl)-2-piperazin-1-yl-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-8-(phenylmethyl)-2-piperazin-1-yl-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 8-benzyl-5-oxo-2-piperazin-1-yl-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-oxo-8-(phenylmethyl)-2-(1-piperazinyl)-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-benzyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 8-benzyl-5-keto-2-piperazino-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)N3CCNCC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)N3CCNCC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3/c1-2-29-20(28)17-14-26(13-15-6-4-3-5-7-15)19-16(18(17)27)12-23-21(24-19)25-10-8-22-9-11-25/h3-7,12,14,22H,2,8-11,13H2,1H3