(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H19N7O2S MolecularWeight: 397.45416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

InChI

InChI=1S/C18H19N7O2S/c1-11-8-12(2)21-18(20-11)28-10-15(26)27-9-14-23-16(19)25-17(24-14)22-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H3,19,22,23,24,25)