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

Systemtic Name: 4-(3-phenoxyphenyl)-1-prop-2-enyl-6-(2-pyridin-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: 1-allyl-4-(3-phenoxyphenyl)-6-[2-(2-pyridyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 4-(3-phenoxyphenyl)-1-prop-2-enyl-6-[2-(2-pyridinyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 4-(3-phenoxyphenyl)-1-prop-2-enyl-6-(2-pyridin-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 1-allyl-4-(3-phenoxyphenyl)-6-[2-(2-pyridyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(NC1=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N(C2)CCC5=CC=CC=N5

Isomeric SMILES

C=CCN1C2=C(C(NC1=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N(C2)CCC5=CC=CC=N5

InChI

InChI=1S/C28H26N4O3/c1-2-16-32-24-19-31(17-14-21-10-6-7-15-29-21)27(33)25(24)26(30-28(32)34)20-9-8-13-23(18-20)35-22-11-4-3-5-12-22/h2-13,15,18,26H,1,14,16-17,19H2,(H,30,34)