N6-[2-[3-(diethylamino)propylamino]-6-methyl-pyrimidin-4-yl]-2-methyl-quinoline-4,6-diamine chloride

Systemtic Name: N6-[2-[3-(diethylamino)propylamino]-6-methyl-pyrimidin-4-yl]-2-methyl-quinoline-4,6-diamine chloride Openeye Name: N6-[2-[3-(diethylamino)propylamino]-6-methyl-pyrimidin-4-yl]-2-methyl-quinoline-4,6-diamine chloride CAS Name: N6-[2-[3-(diethylamino)propylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine chloride IUPAC Name: 6-N-[2-[3-(diethylamino)propylamino]-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine chloride Traditional Name: 3-[[4-[(4-amino-2-methyl-6-quinolyl)amino]-6-methyl-pyrimidin-2-yl]amino]propyl-diethyl-amine chloride Formula: C22H31ClN7- MolecularWeight: 428.98144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=NC(=CC(=N1)NC2=CC3=C(C=C2)N=C(C=C3N)C)C.[Cl-]

Isomeric SMILES

CCN(CC)CCCNC1=NC(=CC(=N1)NC2=CC3=C(C=C2)N=C(C=C3N)C)C.[Cl-]

InChI

InChI=1S/C22H31N7.ClH/c1-5-29(6-2)11-7-10-24-22-26-16(4)13-21(28-22)27-17-8-9-20-18(14-17)19(23)12-15(3)25-20;/h8-9,12-14H,5-7,10-11H2,1-4H3,(H2,23,25)(H2,24,26,27,28);1H/p-1