6-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-s-triazin-2-yl]amine Formula: C14H15N9S MolecularWeight: 341.3942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC(=NC(=N3)N)N)C4=CN=CC=C4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC(=NC(=N3)N)N)C4=CN=CC=C4

InChI

InChI=1S/C14H15N9S/c15-12-18-10(19-13(16)20-12)7-24-14-22-21-11(23(14)9-3-4-9)8-2-1-5-17-6-8/h1-2,5-6,9H,3-4,7H2,(H4,15,16,18,19,20)