[4-(4-methoxyphenyl)piperazin-1-yl]-[1-(7H-purin-6-yl)piperidin-4-yl]methanone

Systemtic Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[1-(7H-purin-6-yl)piperidin-4-yl]methanone Openeye Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[1-(7H-purin-6-yl)-4-piperidyl]methanone CAS Name: [4-(4-methoxyphenyl)-1-piperazinyl]-[1-(7H-purin-6-yl)-4-piperidinyl]methanone IUPAC Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[1-(7H-purin-6-yl)piperidin-4-yl]methanone Traditional Name: [4-(4-methoxyphenyl)piperazino]-[1-(7H-purin-6-yl)-4-piperidyl]methanone Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H27N7O2/c1-31-18-4-2-17(3-5-18)27-10-12-29(13-11-27)22(30)16-6-8-28(9-7-16)21-19-20(24-14-23-19)25-15-26-21/h2-5,14-16H,6-13H2,1H3,(H,23,24,25,26)