(3,4-dimethoxyphenyl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-(7H-purin-6-yl)-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-(7H-purin-6-yl)piperazino]methanone Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3NC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3NC=N4)OC

InChI

InChI=1S/C18H20N6O3/c1-26-13-4-3-12(9-14(13)27-2)18(25)24-7-5-23(6-8-24)17-15-16(20-10-19-15)21-11-22-17/h3-4,9-11H,5-8H2,1-2H3,(H,19,20,21,22)