(4Z)-4-[2-[1-(benzimidazol-1-yl)propylamino]-1H-pyrimidin-6-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[2-[1-(benzimidazol-1-yl)propylamino]-1H-pyrimidin-6-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[2-[1-(benzimidazol-1-yl)propylamino]-1H-pyrimidin-6-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[2-[1-(1-benzimidazolyl)propylamino]-1H-pyrimidin-6-ylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[2-[1-(benzimidazol-1-yl)propylamino]-1H-pyrimidin-6-ylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[2-[1-(benzimidazol-1-yl)propylamino]-1H-pyrimidin-6-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=NC=CC(=C2C=CC(=O)C(=C2)OC)N1)N3C=NC4=CC=CC=C43

Isomeric SMILES

CCC(NC1=NC=C/C(=C/2\C=CC(=O)C(=C2)OC)/N1)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H21N5O2/c1-3-20(26-13-23-16-6-4-5-7-17(16)26)25-21-22-11-10-15(24-21)14-8-9-18(27)19(12-14)28-2/h4-13,20H,3H2,1-2H3,(H2,22,24,25)/b15-14-