1-methyl-4-(3-phenylmethoxyphenyl)-6-(2-pyridin-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

Systemtic Name: 1-methyl-4-(3-phenylmethoxyphenyl)-6-(2-pyridin-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: 4-(3-benzyloxyphenyl)-1-methyl-6-[2-(2-pyridyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 1-methyl-4-(3-phenylmethoxyphenyl)-6-[2-(2-pyridinyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 1-methyl-4-(3-phenylmethoxyphenyl)-6-(2-pyridin-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 4-(3-benzoxyphenyl)-1-methyl-6-[2-(2-pyridyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(NC1=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)N(C2)CCC5=CC=CC=N5

Isomeric SMILES

CN1C2=C(C(NC1=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)N(C2)CCC5=CC=CC=N5

InChI

InChI=1S/C27H26N4O3/c1-30-23-17-31(15-13-21-11-5-6-14-28-21)26(32)24(23)25(29-27(30)33)20-10-7-12-22(16-20)34-18-19-8-3-2-4-9-19/h2-12,14,16,25H,13,15,17-18H2,1H3,(H,29,33)