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

Systemtic Name: ethyl 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H28N6O4/c1-4-32-22(31)27-12-10-26(11-13-27)15-17-23-19-18(20(29)25(3)21(30)24(19)2)28(17)14-16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3