6-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C19H23N9S MolecularWeight: 409.51122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

InChI

InChI=1S/C19H23N9S/c20-16-22-15(23-17(24-16)21-13-6-2-1-3-7-13)12-29-19-26-25-18(27-10-4-5-11-27)28(19)14-8-9-14/h1-3,6-7,14H,4-5,8-12H2,(H3,20,21,22,23,24)