1-phenethyl-3-(4-propan-2-ylphenyl)-7H-purine-2,6-dione

Systemtic Name: 1-phenethyl-3-(4-propan-2-ylphenyl)-7H-purine-2,6-dione Openeye Name: 3-(4-isopropylphenyl)-1-phenethyl-7H-purine-2,6-dione CAS Name: 1-phenethyl-3-(4-propan-2-ylphenyl)-7H-purine-2,6-dione IUPAC Name: 1-phenethyl-3-(4-propan-2-ylphenyl)-7H-purine-2,6-dione Traditional Name: 3-p-cumenyl-1-phenethyl-7H-purine-2,6-quinone Formula: C22H22N4O2 MolecularWeight: 374.43568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)NC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)NC=N3

InChI

InChI=1S/C22H22N4O2/c1-15(2)17-8-10-18(11-9-17)26-20-19(23-14-24-20)21(27)25(22(26)28)13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)