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

Systemtic Name: ethyl 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(7-isopropyl-2,6-diketo-1,3-dimethyl-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:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H28N6O4/c1-6-28-18(27)23-9-7-22(8-10-23)11-13-19-15-14(24(13)12(2)3)16(25)21(5)17(26)20(15)4/h12H,6-11H2,1-5H3