1-[4-(phenylmethyl)piperidin-1-yl]-3-(7H-purin-6-ylamino)propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-3-(7H-purin-6-ylamino)propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-(7H-purin-6-ylamino)propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-3-(7H-purin-6-ylamino)-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-(7H-purin-6-ylamino)propan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-(7H-purin-6-ylamino)propan-1-one Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCNC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCNC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C20H24N6O/c27-17(6-9-21-19-18-20(23-13-22-18)25-14-24-19)26-10-7-16(8-11-26)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H2,21,22,23,24,25)