3-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-N,N-diethyl-benzamide Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2S/c1-3-23(4-2)16(25)11-6-5-7-12(8-11)20-15(24)10-26-17-21-13(18)9-14(19)22-17/h5-9H,3-4,10H2,1-2H3,(H,20,24)(H4,18,19,21,22)