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

Systemtic Name: ethyl 4-[[7-hexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(7-hexyl-3-methyl-2,6-dioxo-purin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(7-hexyl-3-methyl-2,6-dioxo-8-purinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(7-hexyl-2,6-diketo-3-methyl-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H32N6O4 MolecularWeight: 420.50588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H32N6O4/c1-4-6-7-8-9-26-15(21-17-16(26)18(27)22-19(28)23(17)3)14-24-10-12-25(13-11-24)20(29)30-5-2/h4-14H2,1-3H3,(H,22,27,28)