(6Z)-6-[2-azanyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-ylidene]-4-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[2-azanyl-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-ylidene]-4-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-ylidene]-4-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[2-amino-4-(4-methyl-1-piperazinyl)-1H-pyrimidin-6-ylidene]-4-(4-hydroxyphenyl)-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-ylidene]-4-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[2-amino-4-(4-methylpiperazino)-1H-pyrimidin-6-ylidene]-4-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-one Formula: C21H23N5O2 MolecularWeight: 377.43962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C3C=C(C=CC3=O)C4=CC=C(C=C4)O)NC(=N2)N

Isomeric SMILES

CN1CCN(CC1)C2=C/C(=C/3\C=C(C=CC3=O)C4=CC=C(C=C4)O)/NC(=N2)N

InChI

InChI=1S/C21H23N5O2/c1-25-8-10-26(11-9-25)20-13-18(23-21(22)24-20)17-12-15(4-7-19(17)28)14-2-5-16(27)6-3-14/h2-7,12-13,27H,8-11H2,1H3,(H3,22,23,24)/b18-17-