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

Systemtic Name: 2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C18H21N7OS MolecularWeight: 383.47064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

InChI

InChI=1S/C18H21N7OS/c1-3-6-12-9-15(26)24-18(20-12)27-10-14-22-16(19)25-17(23-14)21-13-8-5-4-7-11(13)2/h4-5,7-9H,3,6,10H2,1-2H3,(H,20,24,26)(H3,19,21,22,23,25)