3-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide hydrochloride

Systemtic Name: 3-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide hydrochloride Openeye Name: 3-[(2-amino-6-methyl-pyrimidin-4-yl)amino]-N-[4-(4-quinolylamino)phenyl]benzamide hydrochloride CAS Name: 3-[(2-amino-6-methyl-4-pyrimidinyl)amino]-N-[4-(4-quinolinylamino)phenyl]benzamide hydrochloride IUPAC Name: 3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide hydrochloride Traditional Name: 3-[(2-amino-6-methyl-pyrimidin-4-yl)amino]-N-[4-(4-quinolylamino)phenyl]benzamide hydrochloride Formula: C27H24ClN7O MolecularWeight: 497.97876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54.Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54.Cl

InChI

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