(4E)-2-methoxy-4-[5-methyl-6-[[(1S)-1-pyridin-3-ylpropyl]amino]-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-2-methoxy-4-[5-methyl-6-[[(1S)-1-pyridin-3-ylpropyl]amino]-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-2-methoxy-4-[5-methyl-6-[[(1S)-1-(3-pyridyl)propyl]amino]-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4E)-2-methoxy-4-[5-methyl-6-[[(1S)-1-(3-pyridinyl)propyl]amino]-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-2-methoxy-4-[5-methyl-6-[[(1S)-1-pyridin-3-ylpropyl]amino]-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-2-methoxy-4-[5-methyl-6-[[(1S)-1-(3-pyridyl)propyl]amino]-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN=CC=C1)NC2=C(C=NC(=C3C=CC(=O)C(=C3)OC)N2)C

Isomeric SMILES

CC[C@@H](C1=CN=CC=C1)NC2=C(C=N/C(=C/3\C=CC(=O)C(=C3)OC)/N2)C

InChI

InChI=1S/C20H22N4O2/c1-4-16(15-6-5-9-21-12-15)23-19-13(2)11-22-20(24-19)14-7-8-17(25)18(10-14)26-3/h5-12,16,23-24H,4H2,1-3H3/b20-14-/t16-/m0/s1