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

Systemtic Name: ethyl 4-[[1,3-dimethyl-7-nonyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(1,3-dimethyl-7-nonyl-2,6-dioxo-purin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(1,3-dimethyl-7-nonyl-2,6-dioxo-8-purinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-dimethyl-7-nonyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-7-nonyl-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H40N6O4 MolecularWeight: 476.6122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C24H40N6O4/c1-5-7-8-9-10-11-12-13-30-19(18-28-14-16-29(17-15-28)24(33)34-6-2)25-21-20(30)22(31)27(4)23(32)26(21)3/h5-18H2,1-4H3