2-[(3-chloranyl-4-piperazin-1-yl-phenyl)amino]-8-cyclopentyl-pteridin-7-one

Systemtic Name: 2-[(3-chloranyl-4-piperazin-1-yl-phenyl)amino]-8-cyclopentyl-pteridin-7-one Openeye Name: 2-(3-chloro-4-piperazin-1-yl-anilino)-8-cyclopentyl-pteridin-7-one CAS Name: 2-[3-chloro-4-(1-piperazinyl)anilino]-8-cyclopentyl-7-pteridinone IUPAC Name: 2-(3-chloro-4-piperazin-1-ylanilino)-8-cyclopentylpteridin-7-one Traditional Name: 2-(3-chloro-4-piperazino-anilino)-8-cyclopentyl-pteridin-7-one Formula: C21H24ClN7O MolecularWeight: 425.91456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C=NC3=CN=C(N=C32)NC4=CC(=C(C=C4)N5CCNCC5)Cl

Isomeric SMILES

C1CCC(C1)N2C(=O)C=NC3=CN=C(N=C32)NC4=CC(=C(C=C4)N5CCNCC5)Cl

InChI

InChI=1S/C21H24ClN7O/c22-16-11-14(5-6-18(16)28-9-7-23-8-10-28)26-21-25-12-17-20(27-21)29(19(30)13-24-17)15-3-1-2-4-15/h5-6,11-13,15,23H,1-4,7-10H2,(H,25,26,27)