2-[[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C17H18FN7OS MolecularWeight: 387.434523

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C17H18FN7OS/c1-2-3-12-8-14(26)24-17(21-12)27-9-13-22-15(19)25-16(23-13)20-11-6-4-10(18)5-7-11/h4-8H,2-3,9H2,1H3,(H,21,24,26)(H3,19,20,22,23,25)