4-[2-[3-(2-azanylbenzimidazol-2-yl)propylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2-[3-(2-azanylbenzimidazol-2-yl)propylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-[3-(2-aminobenzimidazol-2-yl)propylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[2-[3-(2-amino-2-benzimidazolyl)propylamino]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-[3-(2-aminobenzimidazol-2-yl)propylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-[3-(2-aminobenzimidazol-2-yl)propylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Formula: C20H20N6O MolecularWeight: 360.4124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(N=C2C=C1)(CCCNC3=NC=CC(=C4C=CC(=O)C=C4)N3)N

Isomeric SMILES

C1=CC2=NC(N=C2C=C1)(CCCNC3=NC=CC(=C4C=CC(=O)C=C4)N3)N

InChI

InChI=1S/C20H20N6O/c21-20(25-17-4-1-2-5-18(17)26-20)11-3-12-22-19-23-13-10-16(24-19)14-6-8-15(27)9-7-14/h1-2,4-10,13H,3,11-12,21H2,(H2,22,23,24)