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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-(2-anilino-2-oxo-ethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-2-[(2-anilino-2-oxoethyl)thio]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-(2-anilino-2-oxoethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-2-[(2-anilino-2-keto-ethyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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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=CC=CC=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3S/c1-12-7-9-13(10-8-12)18(27)23-16-17(21)24-20(25-19(16)28)29-11-15(26)22-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,22,26)(H,23,27)(H3,21,24,25,28)