1-methyl-4-(3-phenoxyphenyl)-6-(2-thiophen-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

Systemtic Name: 1-methyl-4-(3-phenoxyphenyl)-6-(2-thiophen-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: 1-methyl-4-(3-phenoxyphenyl)-6-[2-(2-thienyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 1-methyl-4-(3-phenoxyphenyl)-6-(2-thiophen-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 1-methyl-4-(3-phenoxyphenyl)-6-(2-thiophen-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 1-methyl-4-(3-phenoxyphenyl)-6-[2-(2-thienyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(NC1=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N(C2)CCC5=CC=CS5

Isomeric SMILES

CN1C2=C(C(NC1=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N(C2)CCC5=CC=CS5

InChI

InChI=1S/C25H23N3O3S/c1-27-21-16-28(13-12-20-11-6-14-32-20)24(29)22(21)23(26-25(27)30)17-7-5-10-19(15-17)31-18-8-3-2-4-9-18/h2-11,14-15,23H,12-13,16H2,1H3,(H,26,30)