2-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(6-amino-1-cyclopropyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(6-amino-1-cyclopropyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl]thio]-6-methyl-nicotinonitrile Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)C#N)C(=O)C

InChI

InChI=1S/C18H17N5O4S/c1-8-12(9(2)24)5-10(6-19)17(21-8)28-7-13(25)14-15(20)23(11-3-4-11)18(27)22-16(14)26/h5,11H,3-4,7,20H2,1-2H3,(H,22,26,27)