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

Systemtic Name: ethyl 4-[[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2,6-diketo-3-methyl-7-phenethyl-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(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H28N6O4/c1-3-32-22(31)27-13-11-26(12-14-27)15-17-23-19-18(20(29)24-21(30)25(19)2)28(17)10-9-16-7-5-4-6-8-16/h4-8H,3,9-15H2,1-2H3,(H,24,29,30)