3-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C16H20N8OS MolecularWeight: 372.448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C16H20N8OS/c1-2-3-9-24-15(25)22-23-16(24)26-10-12-19-13(17)21-14(20-12)18-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,22,25)(H3,17,18,19,20,21)