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

Systemtic Name: 6-cyclohexyl-4-(3-phenylmethoxyphenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: 1-allyl-4-(3-benzyloxyphenyl)-6-cyclohexyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 6-cyclohexyl-4-(3-phenylmethoxyphenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 6-cyclohexyl-4-(3-phenylmethoxyphenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 1-allyl-4-(3-benzoxyphenyl)-6-cyclohexyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C28H31N3O3 MolecularWeight: 457.56404

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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)C5CCCCC5

Isomeric SMILES

C=CCN1C2=C(C(NC1=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)N(C2)C5CCCCC5

InChI

InChI=1S/C28H31N3O3/c1-2-16-30-24-18-31(22-13-7-4-8-14-22)27(32)25(24)26(29-28(30)33)21-12-9-15-23(17-21)34-19-20-10-5-3-6-11-20/h2-3,5-6,9-12,15,17,22,26H,1,4,7-8,13-14,16,18-19H2,(H,29,33)