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

Systemtic Name: ethyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(7-benzyl-2,6-diketo-1,3-dimethyl-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(=O)N(C(=O)N3C)C

Isomeric SMILES

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

InChI

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