4-[(2-chloranyl-7H-purin-6-yl)amino]-1-(4-phenylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-[(2-chloranyl-7H-purin-6-yl)amino]-1-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: 4-[(2-chloro-7H-purin-6-yl)amino]-1-(4-phenylpiperazin-1-yl)butan-1-one CAS Name: 4-[(2-chloro-7H-purin-6-yl)amino]-1-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: 4-[(2-chloro-7H-purin-6-yl)amino]-1-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: 4-[(2-chloro-7H-purin-6-yl)amino]-1-(4-phenylpiperazino)butan-1-one Formula: C19H22ClN7O MolecularWeight: 399.87728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C19H22ClN7O/c20-19-24-17(16-18(25-19)23-13-22-16)21-8-4-7-15(28)27-11-9-26(10-12-27)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H2,21,22,23,24,25)