N'-[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide

Systemtic Name: N'-[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Openeye Name: N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide CAS Name: N'-[5-amino-6-(4-butylanilino)-4-pyrimidinyl]-4-methylbenzenesulfonohydrazide IUPAC Name: N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide Traditional Name: N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNS(=O)(=O)C3=CC=C(C=C3)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNS(=O)(=O)C3=CC=C(C=C3)C)N

InChI

InChI=1S/C21H26N6O2S/c1-3-4-5-16-8-10-17(11-9-16)25-20-19(22)21(24-14-23-20)26-27-30(28,29)18-12-6-15(2)7-13-18/h6-14,27H,3-5,22H2,1-2H3,(H2,23,24,25,26)