4-[4-azanyl-7-(3-chloranyl-5-methyl-2-oxidanyl-phenyl)-8H-pyrido[2,3-d]pyrimidin-5-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-azanyl-7-(3-chloranyl-5-methyl-2-oxidanyl-phenyl)-8H-pyrido[2,3-d]pyrimidin-5-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-amino-7-(3-chloro-2-hydroxy-5-methyl-phenyl)-8H-pyrido[2,3-d]pyrimidin-5-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[4-amino-7-(3-chloro-2-hydroxy-5-methylphenyl)-8H-pyrido[2,3-d]pyrimidin-5-ylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-amino-7-(3-chloro-2-hydroxy-5-methylphenyl)-8H-pyrido[2,3-d]pyrimidin-5-ylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[4-amino-7-(3-chloro-2-hydroxy-5-methyl-phenyl)-8H-pyrido[2,3-d]pyrimidin-5-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC(=C3C=CC(=O)C(=C3)OC)C4=C(N2)N=CN=C4N)O)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC(=C3C=CC(=O)C(=C3)OC)C4=C(N2)N=CN=C4N)O)Cl

InChI

InChI=1S/C21H17ClN4O3/c1-10-5-13(19(28)14(22)6-10)15-8-12(11-3-4-16(27)17(7-11)29-2)18-20(23)24-9-25-21(18)26-15/h3-9,28H,1-2H3,(H3,23,24,25,26)