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

Systemtic Name: 2-[3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propylthio]-4,6-dimethyl-nicotinonitrile Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

InChI

InChI=1S/C18H20N6O2S/c1-11-8-12(2)21-16(13(11)9-19)27-7-5-6-24-17(25)14-15(20-10-22(14)3)23(4)18(24)26/h8,10H,5-7H2,1-4H3