2-[[2-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-9-cyclopentyl-7-methyl-purin-8-one

Systemtic Name: 2-[[2-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-9-cyclopentyl-7-methyl-purin-8-one Openeye Name: 2-[2-chloro-4-(4-methylpiperazin-1-yl)anilino]-9-cyclopentyl-7-methyl-purin-8-one CAS Name: 2-[2-chloro-4-(4-methyl-1-piperazinyl)anilino]-9-cyclopentyl-7-methyl-8-purinone IUPAC Name: 2-[2-chloro-4-(4-methylpiperazin-1-yl)anilino]-9-cyclopentyl-7-methylpurin-8-one Traditional Name: 2-[2-chloro-4-(4-methylpiperazino)anilino]-9-cyclopentyl-7-methyl-purin-8-one Formula: C22H28ClN7O MolecularWeight: 441.95702

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCCC5)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCCC5)Cl

InChI

InChI=1S/C22H28ClN7O/c1-27-9-11-29(12-10-27)16-7-8-18(17(23)13-16)25-21-24-14-19-20(26-21)30(22(31)28(19)2)15-5-3-4-6-15/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,24,25,26)