1-[4-(4-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(4-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(4-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]pyrimidin-5-yl]ethanone CAS Name: 1-[4-(4-chlorophenyl)-2-[(4,8-dimethyl-2-quinazolinyl)amino]-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-(4-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(4-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]pyrimidin-5-yl]ethanone Formula: C22H18ClN5O MolecularWeight: 403.86422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2C)NC3=NC=C(C(=N3)C4=CC=C(C=C4)Cl)C(=O)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2C)NC3=NC=C(C(=N3)C4=CC=C(C=C4)Cl)C(=O)C

InChI

InChI=1S/C22H18ClN5O/c1-12-5-4-6-17-13(2)25-22(26-19(12)17)28-21-24-11-18(14(3)29)20(27-21)15-7-9-16(23)10-8-15/h4-11H,1-3H3,(H,24,25,26,27,28)