3-[(2-chloranyl-7H-purin-6-yl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-(4-phenylpiperazino)propan-1-one Formula: C18H20ClN7O MolecularWeight: 385.8507

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H20ClN7O/c19-18-23-16(15-17(24-18)22-12-21-15)20-7-6-14(27)26-10-8-25(9-11-26)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,20,21,22,23,24)