2-[[4-azanyl-6-(butylamino)-1,3,5-triazin-2-yl]sulfanyl]-3a,4,5,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[[4-azanyl-6-(butylamino)-1,3,5-triazin-2-yl]sulfanyl]-3a,4,5,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]sulfanyl]-3a,4,5,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]thio]-3a,4,5,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]sulfanyl]-3a,4,5,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[[4-amino-6-(butylamino)-s-triazin-2-yl]thio]-3a,4,5,7a-tetrahydroisoindole-1,3-quinone Formula: C15H20N6O2S MolecularWeight: 348.4233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=N1)N)SN2C(=O)C3CCC=CC3C2=O

Isomeric SMILES

CCCCNC1=NC(=NC(=N1)N)SN2C(=O)C3CCC=CC3C2=O

InChI

InChI=1S/C15H20N6O2S/c1-2-3-8-17-14-18-13(16)19-15(20-14)24-21-11(22)9-6-4-5-7-10(9)12(21)23/h4,6,9-10H,2-3,5,7-8H2,1H3,(H3,16,17,18,19,20)