4-azanyl-1-(2-chloranyl-6-propyl-phenyl)-1,3,5-triazin-2-one

Systemtic Name: 4-azanyl-1-(2-chloranyl-6-propyl-phenyl)-1,3,5-triazin-2-one Openeye Name: 4-amino-1-(2-chloro-6-propyl-phenyl)-1,3,5-triazin-2-one CAS Name: 4-amino-1-(2-chloro-6-propylphenyl)-1,3,5-triazin-2-one IUPAC Name: 4-amino-1-(2-chloro-6-propylphenyl)-1,3,5-triazin-2-one Traditional Name: 4-amino-1-(2-chloro-6-propyl-phenyl)-s-triazin-2-one Formula: C12H13ClN4O MolecularWeight: 264.71082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)Cl)N2C=NC(=NC2=O)N

Isomeric SMILES

CCCC1=C(C(=CC=C1)Cl)N2C=NC(=NC2=O)N

InChI

InChI=1S/C12H13ClN4O/c1-2-4-8-5-3-6-9(13)10(8)17-7-15-11(14)16-12(17)18/h3,5-7H,2,4H2,1H3,(H2,14,16,18)