2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C19H20N6O2/c1-11-6-8-12(9-7-11)21-19-23-15(22-18(20)24-19)10-25-16(26)13-4-2-3-5-14(13)17(25)27/h2-3,6-9,13-14H,4-5,10H2,1H3,(H3,20,21,22,23,24)