4-[2-(3-imidazol-1-ylpropylamino)-6-(4-methylphenyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2-(3-imidazol-1-ylpropylamino)-6-(4-methylphenyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(3-imidazol-1-ylpropylamino)-6-(p-tolyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[2-[3-(1-imidazolyl)propylamino]-6-(4-methylphenyl)-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-(3-imidazol-1-ylpropylamino)-6-(4-methylphenyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(3-imidazol-1-ylpropylamino)-6-(p-tolyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)N=C(N2)NCCCN4C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)N=C(N2)NCCCN4C=CN=C4

InChI

InChI=1S/C23H23N5O/c1-17-3-5-18(6-4-17)21-15-22(19-7-9-20(29)10-8-19)27-23(26-21)25-11-2-13-28-14-12-24-16-28/h3-10,12,14-16H,2,11,13H2,1H3,(H2,25,26,27)