(E)-3-azanyl-2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]but-2-enenitrile Formula: C10H12N6OS MolecularWeight: 264.30688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N6OS/c1-5(12)6(3-11)7(17)4-18-10-15-8(13)2-9(14)16-10/h2H,4,12H2,1H3,(H4,13,14,15,16)/b6-5+