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

Systemtic Name: ethyl 4-[[7-heptyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-8-purinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(7-heptyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(7-heptyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H36N6O4 MolecularWeight: 448.55904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H36N6O4/c1-5-7-8-9-10-11-28-17(16-26-12-14-27(15-13-26)22(31)32-6-2)23-19-18(28)20(29)25(4)21(30)24(19)3/h5-16H2,1-4H3