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

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

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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)N

Isomeric SMILES

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

InChI

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