4-(3-phenylmethoxyphenyl)-1-prop-2-enyl-6-(2-thiophen-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-thiophen-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: 1-allyl-4-(3-benzyloxyphenyl)-6-[2-(2-thienyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 4-(3-phenylmethoxyphenyl)-1-prop-2-enyl-6-(2-thiophen-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 4-(3-phenylmethoxyphenyl)-1-prop-2-enyl-6-(2-thiophen-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 1-allyl-4-(3-benzoxyphenyl)-6-[2-(2-thienyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C28H27N3O3S MolecularWeight: 485.59728

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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=CS5

Isomeric SMILES

C=CCN1C2=C(C(NC1=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)N(C2)CCC5=CC=CS5

InChI

InChI=1S/C28H27N3O3S/c1-2-14-31-24-18-30(15-13-23-12-7-16-35-23)27(32)25(24)26(29-28(31)33)21-10-6-11-22(17-21)34-19-20-8-4-3-5-9-20/h2-12,16-17,26H,1,13-15,18-19H2,(H,29,33)