4-(1,3-benzodioxol-5-yl)-1,3,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1,3,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-1,3,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-1,3,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1,3,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-1,3,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione Formula: C13H11N3O2S MolecularWeight: 273.31034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NC(=S)N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN=C2C1=C(NC(=S)N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C13H11N3O2S/c19-13-15-11(8-3-4-14-12(8)16-13)7-1-2-9-10(5-7)18-6-17-9/h1-2,5H,3-4,6H2,(H2,14,15,16,19)