1-(4-phenylpiperazin-1-yl)-3-(7H-purin-6-ylamino)propan-1-one

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-3-(7H-purin-6-ylamino)propan-1-one Openeye Name: 1-(4-phenylpiperazin-1-yl)-3-(7H-purin-6-ylamino)propan-1-one CAS Name: 1-(4-phenyl-1-piperazinyl)-3-(7H-purin-6-ylamino)-1-propanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-3-(7H-purin-6-ylamino)propan-1-one Traditional Name: 1-(4-phenylpiperazino)-3-(7H-purin-6-ylamino)propan-1-one Formula: C18H21N7O MolecularWeight: 351.40564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O/c26-15(6-7-19-17-16-18(21-12-20-16)23-13-22-17)25-10-8-24(9-11-25)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,19,20,21,22,23)