4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-3-keto-butyronitrile Formula: C10H11N5O2S MolecularWeight: 265.29164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC(=O)C=C(N1)N

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC(=O)C=C(N1)N

InChI

InChI=1S/C10H11N5O2S/c1-5(12)6(3-11)7(16)4-18-10-14-8(13)2-9(17)15-10/h2,6,12H,4H2,1H3,(H3,13,14,15,17)