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

Systemtic Name: 2-[1-[8-(3-azanylazepan-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]benzenecarbonitrile Openeye Name: 2-[1-[8-(3-aminoazepan-1-yl)-3-methyl-2,6-dioxo-purin-7-yl]ethyl]benzonitrile CAS Name: 2-[1-[8-(3-amino-1-azepanyl)-3-methyl-2,6-dioxo-7-purinyl]ethyl]benzonitrile IUPAC Name: 2-[1-[8-(3-aminoazepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]ethyl]benzonitrile Traditional Name: 2-[1-[8-(3-aminoazepan-1-yl)-2,6-diketo-3-methyl-purin-7-yl]ethyl]benzonitrile Formula: C21H25N7O2 MolecularWeight: 407.4689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C#N)N2C3=C(N=C2N4CCCCC(C4)N)N(C(=O)NC3=O)C

Isomeric SMILES

CC(C1=CC=CC=C1C#N)N2C3=C(N=C2N4CCCCC(C4)N)N(C(=O)NC3=O)C

InChI

InChI=1S/C21H25N7O2/c1-13(16-9-4-3-7-14(16)11-22)28-17-18(26(2)21(30)25-19(17)29)24-20(28)27-10-6-5-8-15(23)12-27/h3-4,7,9,13,15H,5-6,8,10,12,23H2,1-2H3,(H,25,29,30)