4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: 4-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-mesityl-butyramide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=NC(=O)C=C(N2)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=NC(=O)C=C(N2)N)C

InChI

InChI=1S/C17H22N4O2S/c1-10-7-11(2)16(12(3)8-10)20-14(22)5-4-6-24-17-19-13(18)9-15(23)21-17/h7-9H,4-6H2,1-3H3,(H,20,22)(H3,18,19,21,23)