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

Systemtic Name: 6-pentyl-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-pentyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 6-pentyl-4-(3-phenylmethoxyphenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 6-pentyl-4-(3-phenylmethoxyphenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 1-allyl-6-amyl-4-(3-benzoxyphenyl)-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:

CCCCCN1CC2=C(C1=O)C(NC(=O)N2CC=C)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCN1CC2=C(C1=O)C(NC(=O)N2CC=C)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

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