[4-azanyl-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl]-(4-methylpyrimidin-2-yl)methanethiol

Systemtic Name: [4-azanyl-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl]-(4-methylpyrimidin-2-yl)methanethiol Openeye Name: [4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-(4-methylpyrimidin-2-yl)methanethiol CAS Name: [4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-(4-methyl-2-pyrimidinyl)methanethiol IUPAC Name: [4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-(4-methylpyrimidin-2-yl)methanethiol Traditional Name: [4-amino-6-(p-anisidino)-s-triazin-2-yl]-(4-methylpyrimidin-2-yl)methanethiol Formula: C16H17N7OS MolecularWeight: 355.41748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)C(C2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N)S

Isomeric SMILES

CC1=NC(=NC=C1)C(C2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N)S

InChI

InChI=1S/C16H17N7OS/c1-9-7-8-18-13(19-9)12(25)14-21-15(17)23-16(22-14)20-10-3-5-11(24-2)6-4-10/h3-8,12,25H,1-2H3,(H3,17,20,21,22,23)