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

Systemtic Name: 2-[8-(azepan-1-yl)-3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-1-yl]ethanamide Openeye Name: 2-[8-(azepan-1-yl)-7-isopentyl-3-methyl-2,6-dioxo-purin-1-yl]acetamide CAS Name: 2-[8-(1-azepanyl)-3-methyl-7-(3-methylbutyl)-2,6-dioxo-1-purinyl]acetamide IUPAC Name: 2-[8-(azepan-1-yl)-3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]acetamide Traditional Name: 2-[8-(azepan-1-yl)-7-isoamyl-2,6-diketo-3-methyl-purin-1-yl]acetamide Formula: C19H30N6O3 MolecularWeight: 390.4799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)CC(=O)N)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)CC(=O)N)C

InChI

InChI=1S/C19H30N6O3/c1-13(2)8-11-24-15-16(21-18(24)23-9-6-4-5-7-10-23)22(3)19(28)25(17(15)27)12-14(20)26/h13H,4-12H2,1-3H3,(H2,20,26)