2-[8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: 2-[8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: 2-[8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetamide CAS Name: 2-[8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,3-dimethyl-2,6-dioxo-7-purinyl]acetamide IUPAC Name: 2-[8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide Traditional Name: 2-[2,6-diketo-8-[[4-(4-methoxyphenyl)piperazino]methyl]-1,3-dimethyl-purin-7-yl]acetamide Formula: C21H27N7O4 MolecularWeight: 441.48358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC(=O)N

InChI

InChI=1S/C21H27N7O4/c1-24-19-18(20(30)25(2)21(24)31)28(12-16(22)29)17(23-19)13-26-8-10-27(11-9-26)14-4-6-15(32-3)7-5-14/h4-7H,8-13H2,1-3H3,(H2,22,29)