6-cyclopentyl-4,7,8-trimethyl-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-cyclopentyl-4,7,8-trimethyl-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-cyclopentyl-4,7,8-trimethyl-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-cyclopentyl-4,7,8-trimethyl-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-cyclopentyl-4,7,8-trimethyl-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-cyclopentyl-4,7,8-trimethyl-2-(3-phenylpropyl)purin[7,8-a]imidazole-1,3-quinone Formula: C24H29N5O2 MolecularWeight: 419.51936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CCCC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CCCC5=CC=CC=C5)C)C

InChI

InChI=1S/C24H29N5O2/c1-16-17(2)29-20-21(25-23(29)28(16)19-13-7-8-14-19)26(3)24(31)27(22(20)30)15-9-12-18-10-5-4-6-11-18/h4-6,10-11,19H,7-9,12-15H2,1-3H3