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

Systemtic Name: 4-azanyl-2-[[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methylthio]pyrimidine-5-carbonitrile Formula: C15H12FN9S MolecularWeight: 369.379483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC=C(C(=N3)N)C#N)F

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC=C(C(=N3)N)C#N)F

InChI

InChI=1S/C15H12FN9S/c16-9-1-3-10(4-2-9)21-14-23-11(22-13(19)25-14)7-26-15-20-6-8(5-17)12(18)24-15/h1-4,6H,7H2,(H2,18,20,24)(H3,19,21,22,23,25)