N-[6-azanyl-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide

Systemtic Name: N-[6-azanyl-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C21H19N5O5S/c1-11-2-4-12(5-3-11)19(28)24-17-18(22)25-21(26-20(17)29)32-9-16(27)23-13-6-7-14-15(8-13)31-10-30-14/h2-8H,9-10H2,1H3,(H,23,27)(H,24,28)(H3,22,25,26,29)