2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(isoamylcarbamoyl)acetamide Formula: C12H20N6O2S MolecularWeight: 312.3912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N6O2S/c1-7(2)3-4-15-11(20)18-10(19)6-21-12-16-8(13)5-9(14)17-12/h5,7H,3-4,6H2,1-2H3,(H4,13,14,16,17)(H2,15,18,19,20)