N1,N4-bis[4-[(2-azanyl-1-ethyl-6-methyl-pyrimidin-4-ylidene)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N1,N4-bis[4-[(2-azanyl-1-ethyl-6-methyl-pyrimidin-4-ylidene)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Openeye Name: N1,N4-bis[4-[(2-amino-1-ethyl-6-methyl-pyrimidin-4-ylidene)amino]phenyl]terephthalamide; 4-methylbenzenesulfonic acid CAS Name: N1,N4-bis[4-[(2-amino-1-ethyl-6-methyl-4-pyrimidinylidene)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 1-N,4-N-bis[4-[(2-amino-1-ethyl-6-methylpyrimidin-4-ylidene)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Traditional Name: N,N'-bis[4-[(2-amino-1-ethyl-6-methyl-pyrimidin-4-ylidene)amino]phenyl]terephthalamide; tosylic acid Formula: C48H52N10O8S2 MolecularWeight: 961.11868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=C5C=C(N(C(=N5)N)CC)C)N=C1N)C.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN1C(=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=C5C=C(N(C(=N5)N)CC)C)N=C1N)C.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C34H36N10O2.2C7H8O3S/c1-5-43-21(3)19-29(41-33(43)35)37-25-11-15-27(16-12-25)39-31(45)23-7-9-24(10-8-23)32(46)40-28-17-13-26(14-18-28)38-30-20-22(4)44(6-2)34(36)42-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-20H,5-6H2,1-4H3,(H,39,45)(H,40,46)(H2,35,37,41)(H2,36,38,42);2*2-5H,1H3,(H,8,9,10)