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

Systemtic Name: 6-butyl-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-butyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 6-butyl-4-(3-phenylmethoxyphenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 6-butyl-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-butyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=C(C1=O)C(NC(=O)N2CC=C)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCN1CC2=C(C1=O)C(NC(=O)N2CC=C)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-3-5-15-28-17-22-23(25(28)30)24(27-26(31)29(22)14-4-2)20-12-9-13-21(16-20)32-18-19-10-7-6-8-11-19/h4,6-13,16,24H,2-3,5,14-15,17-18H2,1H3,(H,27,31)