(E)-3-azanyl-2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]but-2-enenitrile Formula: C10H11N5O2S MolecularWeight: 265.29164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC(=O)C=C(N1)N)/N

InChI

InChI=1S/C10H11N5O2S/c1-5(12)6(3-11)7(16)4-18-10-14-8(13)2-9(17)15-10/h2H,4,12H2,1H3,(H3,13,14,15,17)/b6-5+