N-[2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide

Systemtic Name: N-[2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide Openeye Name: N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide CAS Name: N-[2-[4-(1-piperazinyl)anilino]-7-pyrido[2,3-d]pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide Traditional Name: N-[2-(4-piperazinoanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide Formula: C22H27N9O MolecularWeight: 433.50948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)NC3=NC=C4C=CC(=NC4=N3)NC(=O)N5CCNCC5

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)NC3=NC=C4C=CC(=NC4=N3)NC(=O)N5CCNCC5

InChI

InChI=1S/C22H27N9O/c32-22(31-13-9-24-10-14-31)28-19-6-1-16-15-25-21(29-20(16)27-19)26-17-2-4-18(5-3-17)30-11-7-23-8-12-30/h1-6,15,23-24H,7-14H2,(H2,25,26,27,28,29,32)