6-(2,3-dihydro-1H-inden-2-yl)-3-methyl-5-(3-oxidanylpropylsulfanyl)-1-propan-2-yl-pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 6-(2,3-dihydro-1H-inden-2-yl)-3-methyl-5-(3-oxidanylpropylsulfanyl)-1-propan-2-yl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(3-hydroxypropylsulfanyl)-6-indan-2-yl-1-isopropyl-3-methyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 6-(2,3-dihydro-1H-inden-2-yl)-5-(3-hydroxypropylthio)-3-methyl-1-propan-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 6-(2,3-dihydro-1H-inden-2-yl)-5-(3-hydroxypropylsulfanyl)-3-methyl-1-propan-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(3-hydroxypropylthio)-6-indan-2-yl-1-isopropyl-3-methyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CN(C(=C2C(=O)N(C1=O)C)SCCCO)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC(C)N1C2=CN(C(=C2C(=O)N(C1=O)C)SCCCO)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H27N3O3S/c1-14(2)25-18-13-24(17-11-15-7-4-5-8-16(15)12-17)21(29-10-6-9-26)19(18)20(27)23(3)22(25)28/h4-5,7-8,13-14,17,26H,6,9-12H2,1-3H3