ethyl 3-[6-methyl-4-oxidanylidene-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-5-yl]propanoate

Systemtic Name: ethyl 3-[6-methyl-4-oxidanylidene-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-5-yl]propanoate Openeye Name: ethyl 3-[6-methyl-4-oxo-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[6-methyl-4-oxo-2-[(4,6,7-trimethyl-2-quinazolinyl)amino]-1H-pyrimidin-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-methyl-4-oxo-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[4-keto-6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-5-yl]propionic acid ethyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC(=NC1=O)NC2=NC3=CC(=C(C=C3C(=N2)C)C)C)C

Isomeric SMILES

CCOC(=O)CCC1=C(NC(=NC1=O)NC2=NC3=CC(=C(C=C3C(=N2)C)C)C)C

InChI

InChI=1S/C21H25N5O3/c1-6-29-18(27)8-7-15-13(4)22-21(25-19(15)28)26-20-23-14(5)16-9-11(2)12(3)10-17(16)24-20/h9-10H,6-8H2,1-5H3,(H2,22,23,24,25,26,28)