N-[4-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide hydrochloride

Systemtic Name: N-[4-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide hydrochloride Openeye Name: N-[4-[(2-amino-6-methyl-pyrimidin-4-yl)amino]phenyl]-4-(4-quinolylamino)benzamide hydrochloride CAS Name: N-[4-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]-4-(4-quinolinylamino)benzamide hydrochloride IUPAC Name: N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide hydrochloride Traditional Name: N-[4-[(2-amino-6-methyl-pyrimidin-4-yl)amino]phenyl]-4-(4-quinolylamino)benzamide hydrochloride Formula: C27H24ClN7O MolecularWeight: 497.97876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54.Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54.Cl

InChI

InChI=1S/C27H23N7O.ClH/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24;/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34);1H