(2S)-N-cycloheptyl-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propanamide

Systemtic Name: (2S)-N-cycloheptyl-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propanamide Openeye Name: (2S)-N-cycloheptyl-2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propanamide CAS Name: (2S)-N-cycloheptyl-2-(3,7-dimethyl-2,6-dioxo-1-purinyl)propanamide IUPAC Name: (2S)-N-cycloheptyl-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanamide Traditional Name: (2S)-N-cycloheptyl-2-(2,6-diketo-3,7-dimethyl-purin-1-yl)propionamide Formula: C17H25N5O3 MolecularWeight: 347.4121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)N2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)N2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C17H25N5O3/c1-11(15(23)19-12-8-6-4-5-7-9-12)22-16(24)13-14(18-10-20(13)2)21(3)17(22)25/h10-12H,4-9H2,1-3H3,(H,19,23)/t11-/m0/s1