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

Systemtic Name: ethyl 4-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)piperazine-1-carboxylic acid ethyl ester Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O4/c1-3-30-20(29)25-11-9-24(10-12-25)18-21-16-15(17(27)22-19(28)23(16)2)26(18)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3,(H,22,27,28)