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

Systemtic Name: N-[6-azanyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-(2-morpholino-2-oxo-ethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-4-keto-2-[(2-keto-2-morpholino-ethyl)thio]-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCOCC3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCOCC3)N

InChI

InChI=1S/C18H21N5O4S/c1-11-2-4-12(5-3-11)16(25)20-14-15(19)21-18(22-17(14)26)28-10-13(24)23-6-8-27-9-7-23/h2-5H,6-10H2,1H3,(H,20,25)(H3,19,21,22,26)