methyl 2-[8-(azepan-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: methyl 2-[8-(azepan-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: methyl 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[8-(1-azepanyl)-3-methyl-2,6-dioxo-7-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[8-(azepan-1-yl)-2,6-diketo-3-methyl-purin-7-yl]acetic acid methyl ester Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(=O)OC

InChI

InChI=1S/C15H21N5O4/c1-18-12-11(13(22)17-15(18)23)20(9-10(21)24-2)14(16-12)19-7-5-3-4-6-8-19/h3-9H2,1-2H3,(H,17,22,23)