3-[(7-chloranyl-4-phenyl-quinazolin-2-yl)-(4,6-dimethylpyrimidin-2-yl)amino]propanenitrile

Systemtic Name: 3-[(7-chloranyl-4-phenyl-quinazolin-2-yl)-(4,6-dimethylpyrimidin-2-yl)amino]propanenitrile Openeye Name: 3-[(7-chloro-4-phenyl-quinazolin-2-yl)-(4,6-dimethylpyrimidin-2-yl)amino]propanenitrile CAS Name: 3-[(7-chloro-4-phenyl-2-quinazolinyl)-(4,6-dimethyl-2-pyrimidinyl)amino]propanenitrile IUPAC Name: 3-[(7-chloro-4-phenylquinazolin-2-yl)-(4,6-dimethylpyrimidin-2-yl)amino]propanenitrile Traditional Name: 3-[(7-chloro-4-phenyl-quinazolin-2-yl)-(4,6-dimethylpyrimidin-2-yl)amino]propionitrile Formula: C23H19ClN6 MolecularWeight: 414.89016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(CCC#N)C2=NC3=C(C=CC(=C3)Cl)C(=N2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(CCC#N)C2=NC3=C(C=CC(=C3)Cl)C(=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C23H19ClN6/c1-15-13-16(2)27-22(26-15)30(12-6-11-25)23-28-20-14-18(24)9-10-19(20)21(29-23)17-7-4-3-5-8-17/h3-5,7-10,13-14H,6,12H2,1-2H3