6-[1-[(3-chlorophenyl)amino]-6-methyl-isoquinolin-5-yl]-N-methyl-quinazolin-2-amine

Systemtic Name: 6-[1-[(3-chlorophenyl)amino]-6-methyl-isoquinolin-5-yl]-N-methyl-quinazolin-2-amine Openeye Name: 6-[1-(3-chloroanilino)-6-methyl-5-isoquinolyl]-N-methyl-quinazolin-2-amine CAS Name: 6-[1-(3-chloroanilino)-6-methyl-5-isoquinolinyl]-N-methyl-2-quinazolinamine IUPAC Name: 6-[1-(3-chloroanilino)-6-methylisoquinolin-5-yl]-N-methylquinazolin-2-amine Traditional Name: [6-[1-(3-chloroanilino)-6-methyl-5-isoquinolyl]quinazolin-2-yl]-methyl-amine Formula: C25H20ClN5 MolecularWeight: 425.9128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC(=CC=C3)Cl)C4=CC5=CN=C(N=C5C=C4)NC

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC(=CC=C3)Cl)C4=CC5=CN=C(N=C5C=C4)NC

InChI

InChI=1S/C25H20ClN5/c1-15-6-8-21-20(10-11-28-24(21)30-19-5-3-4-18(26)13-19)23(15)16-7-9-22-17(12-16)14-29-25(27-2)31-22/h3-14H,1-2H3,(H,28,30)(H,27,29,31)