N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C21H25N7O3 MolecularWeight: 423.4683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C4CCCC4)C

InChI

InChI=1S/C21H25N7O3/c1-12-13(2)28(14-7-5-6-8-14)18(15(12)9-22)24-16(29)10-27-11-23-19-17(27)20(30)26(4)21(31)25(19)3/h11,14H,5-8,10H2,1-4H3,(H,24,29)