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

Systemtic Name: ethyl 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H28N6O4 MolecularWeight: 392.45272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C18H28N6O4/c1-5-7-24-13(12-22-8-10-23(11-9-22)18(27)28-6-2)19-15-14(24)16(25)21(4)17(26)20(15)3/h5-12H2,1-4H3