4-[[4-[(1-oxidanylidene-2,3-dihydroinden-5-yl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(1-oxidanylidene-2,3-dihydroinden-5-yl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[(1-oxoindan-5-yl)amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(1-oxo-2,3-dihydroinden-5-yl)amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[(1-oxo-2,3-dihydroinden-5-yl)amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[(1-ketoindan-5-yl)amino]pyrimidin-2-yl]amino]benzonitrile Formula: C20H15N5O MolecularWeight: 341.366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2=C1C=C(C=C2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(=O)C2=C1C=C(C=C2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15N5O/c21-12-13-1-4-15(5-2-13)24-20-22-10-9-19(25-20)23-16-6-7-17-14(11-16)3-8-18(17)26/h1-2,4-7,9-11H,3,8H2,(H2,22,23,24,25)