N-[6-azanyl-2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-2-[[2-(tert-butylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21N5O3S/c1-17(2,3)22-11(23)9-26-16-20-13(18)12(15(25)21-16)19-14(24)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,19,24)(H,22,23)(H3,18,20,21,25)