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

Systemtic Name: pentyl 2-[8-(azepan-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C19H29N5O4 MolecularWeight: 391.46466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O4/c1-3-4-9-12-28-14(25)13-24-15-16(22(2)19(27)21-17(15)26)20-18(24)23-10-7-5-6-8-11-23/h3-13H2,1-2H3,(H,21,26,27)