4-(3-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)-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-benzyloxyphenyl)-6-[2-(2-pyridyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 4-(3-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)-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-benzoxyphenyl)-6-[2-(2-pyridyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(NC1=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)N(C2)CCC5=CC=CC=N5

Isomeric SMILES

C=CCN1C2=C(C(NC1=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)N(C2)CCC5=CC=CC=N5

InChI

InChI=1S/C29H28N4O3/c1-2-16-33-25-19-32(17-14-23-12-6-7-15-30-23)28(34)26(25)27(31-29(33)35)22-11-8-13-24(18-22)36-20-21-9-4-3-5-10-21/h2-13,15,18,27H,1,14,16-17,19-20H2,(H,31,35)