6-[2-azanyl-5-(4-chlorophenyl)-1H-pyrimidin-6-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[2-azanyl-5-(4-chlorophenyl)-1H-pyrimidin-6-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(4-chlorophenyl)-1H-pyrimidin-6-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(4-chlorophenyl)-1H-pyrimidin-6-ylidene]-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(4-chlorophenyl)-1H-pyrimidin-6-ylidene]-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(4-chlorophenyl)-1H-pyrimidin-6-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C17H14ClN3O2 MolecularWeight: 327.76496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O2/c1-23-12-6-7-13(15(22)8-12)16-14(9-20-17(19)21-16)10-2-4-11(18)5-3-10/h2-9H,1H3,(H3,19,20,21)