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

Systemtic Name: ethyl 2-[8-(azepan-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H23N5O4/c1-3-25-11(22)10-21-12-13(19(2)16(24)18-14(12)23)17-15(21)20-8-6-4-5-7-9-20/h3-10H2,1-2H3,(H,18,23,24)