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

Systemtic Name: N1,N4-bis[4-[(2-azanyl-1-methyl-pyrimidin-4-ylidene)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Openeye Name: N1,N4-bis[4-[(2-amino-1-methyl-pyrimidin-4-ylidene)amino]phenyl]terephthalamide; 4-methylbenzenesulfonic acid CAS Name: N1,N4-bis[4-[(2-amino-1-methyl-4-pyrimidinylidene)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 1-N,4-N-bis[4-[(2-amino-1-methylpyrimidin-4-ylidene)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Traditional Name: N,N'-bis[4-[(2-amino-1-methyl-pyrimidin-4-ylidene)amino]phenyl]terephthalamide; tosylic acid Formula: C44H44N10O8S2 MolecularWeight: 905.01236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=C5C=CN(C(=N5)N)C)N=C1N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=C5C=CN(C(=N5)N)C)N=C1N

InChI

InChI=1S/C30H28N10O2.2C7H8O3S/c1-39-17-15-25(37-29(39)31)33-21-7-11-23(12-8-21)35-27(41)19-3-5-20(6-4-19)28(42)36-24-13-9-22(10-14-24)34-26-16-18-40(2)30(32)38-26;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-18H,1-2H3,(H,35,41)(H,36,42)(H2,31,33,37)(H2,32,34,38);2*2-5H,1H3,(H,8,9,10)