2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(butylcarbamoyl)propanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(butylcarbamoyl)propanamide Openeye Name: N-(butylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-[butylamino(oxo)methyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(butylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(butylcarbamoyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C12H20N6O2S MolecularWeight: 312.3912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C(C)SC1=NC(=CC(=N1)N)N

Isomeric SMILES

CCCCNC(=O)NC(=O)C(C)SC1=NC(=CC(=N1)N)N

InChI

InChI=1S/C12H20N6O2S/c1-3-4-5-15-11(20)18-10(19)7(2)21-12-16-8(13)6-9(14)17-12/h6-7H,3-5H2,1-2H3,(H4,13,14,16,17)(H2,15,18,19,20)