6-[[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]amino]-2-methyl-benzo[e]perimidin-7-one

Systemtic Name: 6-[[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]amino]-2-methyl-benzo[e]perimidin-7-one Openeye Name: 6-[5-[[4-[bis(2-hydroxyethyl)amino]-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-methyl-anilino]-2-methyl-benzo[e]perimidin-7-one CAS Name: 6-[5-[[4-[bis(2-hydroxyethyl)amino]-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-methylanilino]-2-methyl-7-benzo[e]perimidinone IUPAC Name: 6-[5-[[4-[bis(2-hydroxyethyl)amino]-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-methylanilino]-2-methylbenzo[e]perimidin-7-one Traditional Name: 6-[5-[[4-[bis(2-hydroxyethyl)amino]-6-(o-toluidino)-s-triazin-2-yl]amino]-2-methyl-anilino]-2-methyl-benzo[e]perimidin-7-one Formula: C37H35N9O3 MolecularWeight: 653.7323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC=CC=C3C)NC4=C5C6=C(C=C4)N=C(N=C6C7=CC=CC=C7C5=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC=CC=C3C)NC4=C5C6=C(C=C4)N=C(N=C6C7=CC=CC=C7C5=O)C

InChI

InChI=1S/C37H35N9O3/c1-21-8-4-7-11-27(21)42-36-43-35(44-37(45-36)46(16-18-47)17-19-48)40-24-13-12-22(2)30(20-24)41-29-15-14-28-31-32(29)34(49)26-10-6-5-9-25(26)33(31)39-23(3)38-28/h4-15,20,41,47-48H,16-19H2,1-3H3,(H2,40,42,43,44,45)