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

Systemtic Name: N-[6-azanyl-2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-2-[[2-(tert-butylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC(C)(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC(C)(C)C)N

InChI

InChI=1S/C18H23N5O3S/c1-10-5-7-11(8-6-10)15(25)20-13-14(19)21-17(22-16(13)26)27-9-12(24)23-18(2,3)4/h5-8H,9H2,1-4H3,(H,20,25)(H,23,24)(H3,19,21,22,26)