N2-phenyl-6-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-phenyl-6-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-phenyl-6-[[(2S)-2-(2-thienyl)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-phenyl-6-[[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-phenyl-6-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(2S)-2-(2-thienyl)pyrrolidino]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C18H20N6S MolecularWeight: 352.4566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC=CS4

Isomeric SMILES

C1C[C@H](N(C1)CC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC=CS4

InChI

InChI=1S/C18H20N6S/c19-17-21-16(22-18(23-17)20-13-6-2-1-3-7-13)12-24-10-4-8-14(24)15-9-5-11-25-15/h1-3,5-7,9,11,14H,4,8,10,12H2,(H3,19,20,21,22,23)/t14-/m0/s1