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

Systemtic Name: 6-(3-methylbutyl)-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-isopentyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 6-(3-methylbutyl)-4-(3-phenylmethoxyphenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 6-(3-methylbutyl)-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-isoamyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C27H31N3O3 MolecularWeight: 445.55334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CC2=C(C1=O)C(NC(=O)N2CC=C)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1CC2=C(C1=O)C(NC(=O)N2CC=C)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c1-4-14-30-23-17-29(15-13-19(2)3)26(31)24(23)25(28-27(30)32)21-11-8-12-22(16-21)33-18-20-9-6-5-7-10-20/h4-12,16,19,25H,1,13-15,17-18H2,2-3H3,(H,28,32)