3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]-6-bromanyl-2-methyl-quinazolin-4-one

Systemtic Name: 3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]-6-bromanyl-2-methyl-quinazolin-4-one Openeye Name: 3-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]-6-bromo-2-methyl-quinazolin-4-one CAS Name: 3-[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]-6-bromo-2-methyl-4-quinazolinone IUPAC Name: 3-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-6-bromo-2-methylquinazolin-4-one Traditional Name: 3-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]-6-bromo-2-methyl-quinazolin-4-one Formula: C21H17BrClN5O MolecularWeight: 470.74958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17BrClN5O/c1-3-16-18(12-4-7-14(23)8-5-12)19(24)27-21(26-16)28-11(2)25-17-9-6-13(22)10-15(17)20(28)29/h4-10H,3H2,1-2H3,(H2,24,26,27)