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

Systemtic Name: ethyl 4-[[3-methyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-methyl-7-(1-naphthylmethyl)-2,6-dioxo-purin-8-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-methyl-7-(1-naphthalenylmethyl)-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-methyl-7-(naphthalen-1-ylmethyl)-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2,6-diketo-3-methyl-7-(1-naphthylmethyl)purin-8-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C

InChI

InChI=1S/C25H28N6O4/c1-3-35-25(34)30-13-11-29(12-14-30)16-20-26-22-21(23(32)27-24(33)28(22)2)31(20)15-18-9-6-8-17-7-4-5-10-19(17)18/h4-10H,3,11-16H2,1-2H3,(H,27,32,33)