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

Systemtic Name: (4E)-2-methoxy-4-[5-methyl-6-[[(1S)-1-pyridin-3-ylbutyl]amino]-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-2-methoxy-4-[5-methyl-6-[[(1S)-1-(3-pyridyl)butyl]amino]-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4E)-2-methoxy-4-[5-methyl-6-[[(1S)-1-(3-pyridinyl)butyl]amino]-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-2-methoxy-4-[5-methyl-6-[[(1S)-1-pyridin-3-ylbutyl]amino]-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-2-methoxy-4-[5-methyl-6-[[(1S)-1-(3-pyridyl)butyl]amino]-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-4-6-17(16-7-5-10-22-13-16)24-20-14(2)12-23-21(25-20)15-8-9-18(26)19(11-15)27-3/h5,7-13,17,24-25H,4,6H2,1-3H3/b21-15-/t17-/m0/s1