2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethylthio]-4,6-dimethyl-nicotinonitrile Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C17H18N6O2S/c1-10-7-11(2)20-15(12(10)8-18)26-6-5-23-9-19-14-13(23)16(24)22(4)17(25)21(14)3/h7,9H,5-6H2,1-4H3