N-methyl-4-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

Systemtic Name: N-methyl-4-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine Openeye Name: 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine CAS Name: N-methyl-4-[3-(phenylmethylthio)-1,2,4-triazol-1-yl]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine IUPAC Name: 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine Traditional Name: [4-[3-(benzylthio)-1,2,4-triazol-1-yl]-6-pyrrolidino-s-triazin-2-yl]-methyl-amine Formula: C17H20N8S MolecularWeight: 368.4593

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=N1)N2CCCC2)N3C=NC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

CNC1=NC(=NC(=N1)N2CCCC2)N3C=NC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C17H20N8S/c1-18-14-20-15(24-9-5-6-10-24)22-16(21-14)25-12-19-17(23-25)26-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,18,20,21,22)