8-[4-(phenylmethoxymethyl)cyclohexyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-(phenylmethoxymethyl)cyclohexyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[4-(benzyloxymethyl)cyclohexyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[4-(phenylmethoxymethyl)cyclohexyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[4-(phenylmethoxymethyl)cyclohexyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[4-(benzoxymethyl)cyclohexyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C25H34N4O3 MolecularWeight: 438.56246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(CC3)COCC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(CC3)COCC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O3/c1-3-14-28-23-21(24(30)29(15-4-2)25(28)31)26-22(27-23)20-12-10-19(11-13-20)17-32-16-18-8-6-5-7-9-18/h5-9,19-20H,3-4,10-17H2,1-2H3,(H,26,27)