2-[[5,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-butan-2-ylphenyl)ethanamide

Systemtic Name: 2-[[5,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-butan-2-ylphenyl)ethanamide Openeye Name: 2-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(5,6-diamino-4-keto-1H-pyrimidin-2-yl)thio]-N-(4-sec-butylphenyl)acetamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)N

InChI

InChI=1S/C16H21N5O2S/c1-3-9(2)10-4-6-11(7-5-10)19-12(22)8-24-16-20-14(18)13(17)15(23)21-16/h4-7,9H,3,8,17H2,1-2H3,(H,19,22)(H3,18,20,21,23)