4-[2-[(5-chloranylpyridin-3-yl)amino]-1H-pyrimidin-6-ylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2-[(5-chloranylpyridin-3-yl)amino]-1H-pyrimidin-6-ylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-[(5-chloro-3-pyridyl)amino]-1H-pyrimidin-6-ylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[2-[(5-chloro-3-pyridinyl)amino]-1H-pyrimidin-6-ylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-[(5-chloropyridin-3-yl)amino]-1H-pyrimidin-6-ylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[2-[(5-chloro-3-pyridyl)amino]-1H-pyrimidin-6-ylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C17H15ClN4O3 MolecularWeight: 358.779

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C=CN=C(N2)NC3=CC(=CN=C3)Cl)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=C2C=CN=C(N2)NC3=CC(=CN=C3)Cl)C=C(C1=O)OC

InChI

InChI=1S/C17H15ClN4O3/c1-24-14-5-10(6-15(25-2)16(14)23)13-3-4-20-17(22-13)21-12-7-11(18)8-19-9-12/h3-9H,1-2H3,(H2,20,21,22)