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

Systemtic Name: ethyl 4-azanyl-2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N8O2S MolecularWeight: 398.44222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N8O2S/c1-2-27-14(26)11-8-20-17(24-13(11)18)28-9-12-22-15(19)25-16(23-12)21-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,18,20,24)(H3,19,21,22,23,25)