(4-azanylquinazolin-2-yl)methyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (4-aminoquinazolin-2-yl)methyl (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C17H16ClN5O2 MolecularWeight: 357.79424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=NC3=CC=CC=C3C(=N2)N)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)Cl)C

InChI

InChI=1S/C17H16ClN5O2/c1-10-11(16(18)23(2)22-10)7-8-15(24)25-9-14-20-13-6-4-3-5-12(13)17(19)21-14/h3-8H,9H2,1-2H3,(H2,19,20,21)/b8-7+