2-[(3S)-3-cyano-2-oxidanylidene-3-(4-oxidanylidene-1H-quinazolin-2-yl)propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(3S)-3-cyano-2-oxidanylidene-3-(4-oxidanylidene-1H-quinazolin-2-yl)propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(3S)-3-cyano-2-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[(3S)-3-cyano-2-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(3S)-3-cyano-2-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[(3S)-3-cyano-2-keto-3-(4-keto-1H-quinazolin-2-yl)propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)C(C#N)C2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)[C@@H](C#N)C2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C20H15N5O2S/c1-11-7-12(2)23-20(14(11)8-21)28-10-17(26)15(9-22)18-24-16-6-4-3-5-13(16)19(27)25-18/h3-7,15H,10H2,1-2H3,(H,24,25,27)/t15-/m1/s1