1-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl]-3-propyl-benzimidazol-2-one

Systemtic Name: 1-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl]-3-propyl-benzimidazol-2-one Openeye Name: 1-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]-3-propyl-benzimidazol-2-one CAS Name: 1-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]-3-propyl-2-benzimidazolone IUPAC Name: 1-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]-3-propylbenzimidazol-2-one Traditional Name: 1-[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl]-3-propyl-benzimidazol-2-one Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CC3=NC(=NC(=N3)NC4=CC=C(C=C4)C)N

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CC3=NC(=NC(=N3)NC4=CC=C(C=C4)C)N

InChI

InChI=1S/C21H23N7O/c1-3-12-27-16-6-4-5-7-17(16)28(21(27)29)13-18-24-19(22)26-20(25-18)23-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H3,22,23,24,25,26)