(6Z)-6-[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1H-pyrimidin-2-ylidene]-5-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: (6Z)-6-[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1H-pyrimidin-2-ylidene]-5-oxidanylidene-pyridine-3-carbonitrile Openeye Name: (6Z)-6-[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-oxo-1H-pyrimidin-2-ylidene]-5-oxo-pyridine-3-carbonitrile CAS Name: (6Z)-6-[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-oxo-1H-pyrimidin-2-ylidene]-5-oxo-3-pyridinecarbonitrile IUPAC Name: (6Z)-6-[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-oxo-1H-pyrimidin-2-ylidene]-5-oxopyridine-3-carbonitrile Traditional Name: (6Z)-6-[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-keto-1H-pyrimidin-2-ylidene]-5-keto-nicotinonitrile Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC3=CNC(=C4C(=O)C=C(C=N4)C#N)NC3=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CC3=CN/C(=C/4\C(=O)C=C(C=N4)C#N)/NC3=O

InChI

InChI=1S/C21H17N5O3/c22-9-13-7-17(27)19(23-10-13)20-24-11-16(21(29)25-20)8-18(28)26-6-5-14-3-1-2-4-15(14)12-26/h1-4,7,10-11,24H,5-6,8,12H2,(H,25,29)/b20-19-