1-cyclopentyl-7-[(4-piperazin-1-ylphenyl)amino]pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 1-cyclopentyl-7-[(4-piperazin-1-ylphenyl)amino]pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-7-(4-piperazin-1-ylanilino)pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-7-[4-(1-piperazinyl)anilino]-2-pyrimido[4,5-d]pyrimidinone IUPAC Name: 1-cyclopentyl-7-(4-piperazin-1-ylanilino)pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-7-(4-piperazinoanilino)pyrimido[4,5-d]pyrimidin-2-one Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC(=NC=C3C=NC2=O)NC4=CC=C(C=C4)N5CCNCC5

Isomeric SMILES

C1CCC(C1)N2C3=NC(=NC=C3C=NC2=O)NC4=CC=C(C=C4)N5CCNCC5

InChI

InChI=1S/C21H25N7O/c29-21-24-14-15-13-23-20(26-19(15)28(21)18-3-1-2-4-18)25-16-5-7-17(8-6-16)27-11-9-22-10-12-27/h5-8,13-14,18,22H,1-4,9-12H2,(H,23,25,26)