[4-(7H-purin-6-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(7H-purin-6-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(7H-purin-6-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(7H-purin-6-yl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(7H-purin-6-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(7H-purin-6-yl)piperazino]-(3,4,5-trimethoxyphenyl)methanone Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C19H22N6O4/c1-27-13-8-12(9-14(28-2)16(13)29-3)19(26)25-6-4-24(5-7-25)18-15-17(21-10-20-15)22-11-23-18/h8-11H,4-7H2,1-3H3,(H,20,21,22,23)