4-(methoxymethyl)-6-methyl-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-(methoxymethyl)-6-methyl-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4-(methoxymethyl)-6-methyl-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-pyridine-3-carbonitrile CAS Name: 4-(methoxymethyl)-6-methyl-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]-3-pyridinecarbonitrile IUPAC Name: 4-(methoxymethyl)-6-methyl-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-4-(methoxymethyl)-6-methyl-nicotinonitrile Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H18N6O3S/c1-9-6-10(8-26-5)11(7-18)14(19-9)27-16-20-13-12(21(16)2)15(24)23(4)17(25)22(13)3/h6H,8H2,1-5H3