1-[6-[(4-chlorophenyl)amino]-8-propan-2-yl-7H-purin-2-yl]piperidin-4-one

Systemtic Name: 1-[6-[(4-chlorophenyl)amino]-8-propan-2-yl-7H-purin-2-yl]piperidin-4-one Openeye Name: 1-[6-(4-chloroanilino)-8-isopropyl-7H-purin-2-yl]piperidin-4-one CAS Name: 1-[6-(4-chloroanilino)-8-propan-2-yl-7H-purin-2-yl]-4-piperidinone IUPAC Name: 1-[6-(4-chloroanilino)-8-propan-2-yl-7H-purin-2-yl]piperidin-4-one Traditional Name: 1-[6-(4-chloroanilino)-8-isopropyl-7H-purin-2-yl]-4-piperidone Formula: C19H21ClN6O MolecularWeight: 384.86264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=NC(=N2)N3CCC(=O)CC3)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=NC(=N2)N3CCC(=O)CC3)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H21ClN6O/c1-11(2)16-22-15-17(21-13-5-3-12(20)4-6-13)24-19(25-18(15)23-16)26-9-7-14(27)8-10-26/h3-6,11H,7-10H2,1-2H3,(H2,21,22,23,24,25)