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

Systemtic Name: 4-(3-phenylmethoxyphenyl)-6-propan-2-yl-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: 1-allyl-4-(3-benzyloxyphenyl)-6-isopropyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 4-(3-phenylmethoxyphenyl)-6-propan-2-yl-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 4-(3-phenylmethoxyphenyl)-6-propan-2-yl-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 1-allyl-4-(3-benzoxyphenyl)-6-isopropyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC2=C(C1=O)C(NC(=O)N2CC=C)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1CC2=C(C1=O)C(NC(=O)N2CC=C)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-4-13-27-21-15-28(17(2)3)24(29)22(21)23(26-25(27)30)19-11-8-12-20(14-19)31-16-18-9-6-5-7-10-18/h4-12,14,17,23H,1,13,15-16H2,2-3H3,(H,26,30)