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

Systemtic Name: ethyl 4-azanyl-2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N8O2S MolecularWeight: 412.4688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N

InChI

InChI=1S/C18H20N8O2S/c1-3-28-15(27)12-8-21-18(25-14(12)19)29-9-13-23-16(20)26-17(24-13)22-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H2,19,21,25)(H3,20,22,23,24,26)