3-[2-(cyanoamino)-4-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-6-yl]-N-(4-methoxyphenyl)propanamide

Systemtic Name: 3-[2-(cyanoamino)-4-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-6-yl]-N-(4-methoxyphenyl)propanamide Openeye Name: 3-[2-(cyanoamino)-4-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-6-yl]-N-(4-methoxyphenyl)propanamide CAS Name: 3-[2-(cyanoamino)-4-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrimidin-6-yl]-N-(4-methoxyphenyl)propanamide IUPAC Name: 3-[2-(cyanoamino)-4-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-6-yl]-N-(4-methoxyphenyl)propanamide Traditional Name: 3-[2-(cyanoamino)-4-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-6-yl]-N-(4-methoxyphenyl)propionamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCC2=CC(=C3C=CC(=O)C(=C3)OC)N=C(N2)NC#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CCC2=CC(=C3C=CC(=O)C(=C3)OC)N=C(N2)NC#N

InChI

InChI=1S/C22H21N5O4/c1-30-17-7-4-15(5-8-17)25-21(29)10-6-16-12-18(27-22(26-16)24-13-23)14-3-9-19(28)20(11-14)31-2/h3-5,7-9,11-12H,6,10H2,1-2H3,(H,25,29)(H2,24,26,27)