4-azanyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(3,3-dimethyl-2-oxobutyl)thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(2-keto-3,3-dimethyl-butyl)thio]pyrimidine-5-carbonitrile Formula: C11H14N4OS MolecularWeight: 250.32006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4OS/c1-11(2,3)8(16)6-17-10-14-5-7(4-12)9(13)15-10/h5H,6H2,1-3H3,(H2,13,14,15)