[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1,3-benzodioxole-5-carboxylate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N5O4/c1-11-2-5-13(6-3-11)21-19-23-16(22-18(20)24-19)9-26-17(25)12-4-7-14-15(8-12)28-10-27-14/h2-8H,9-10H2,1H3,(H3,20,21,22,23,24)