4-azanyl-2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methylthio]pyrimidine-5-carbonitrile Formula: C16H15N9S MolecularWeight: 365.4156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C16H15N9S/c1-9-2-4-11(5-3-9)21-15-23-12(22-14(19)25-15)8-26-16-20-7-10(6-17)13(18)24-16/h2-5,7H,8H2,1H3,(H2,18,20,24)(H3,19,21,22,23,25)