ethyl 4-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-methyl-7-(m-tolylmethyl)-2,6-dioxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[2,6-diketo-3-methyl-7-(3-methylbenzyl)purin-8-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H26N6O4/c1-4-31-21(30)26-10-8-25(9-11-26)19-22-17-16(18(28)23-20(29)24(17)3)27(19)13-15-7-5-6-14(2)12-15/h5-7,12H,4,8-11,13H2,1-3H3,(H,23,28,29)