N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-2-methyl-phenyl]propanamide

Systemtic Name: N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-2-methyl-phenyl]propanamide Openeye Name: N-[4-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-2-methyl-phenyl]propanamide CAS Name: N-[4-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2-methylphenyl]propanamide IUPAC Name: N-[4-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide Traditional Name: N-[4-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-2-methyl-phenyl]propionamide Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C16H20N6O2S/c1-3-14(23)20-11-5-4-10(6-9(11)2)19-15(24)8-25-16-21-12(17)7-13(18)22-16/h4-7H,3,8H2,1-2H3,(H,19,24)(H,20,23)(H4,17,18,21,22)