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

Systemtic Name: 4-(3,5-dimethoxyphenyl)-6-pentyl-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: 1-allyl-4-(3,5-dimethoxyphenyl)-6-pentyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 4-(3,5-dimethoxyphenyl)-6-pentyl-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 4-(3,5-dimethoxyphenyl)-6-pentyl-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 1-allyl-6-amyl-4-(3,5-dimethoxyphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CC2=C(C1=O)C(NC(=O)N2CC=C)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCCCCN1CC2=C(C1=O)C(NC(=O)N2CC=C)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H29N3O4/c1-5-7-8-10-24-14-18-19(21(24)26)20(23-22(27)25(18)9-6-2)15-11-16(28-3)13-17(12-15)29-4/h6,11-13,20H,2,5,7-10,14H2,1,3-4H3,(H,23,27)