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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3/c1-5-14-29-23-16-30(19(4)18(2)3)26(31)24(23)25(28-27(29)32)21-12-9-13-22(15-21)33-17-20-10-7-6-8-11-20/h5-13,15,18-19,25H,1,14,16-17H2,2-4H3,(H,28,32)