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

Systemtic Name: N-[6-azanyl-2-(2-morpholin-4-ylethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-(2-morpholinoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-2-[2-(4-morpholinyl)ethylthio]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-(2-morpholin-4-ylethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-4-keto-2-(2-morpholinoethylthio)-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)SCCN3CCOCC3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCN3CCOCC3)N

InChI

InChI=1S/C18H23N5O3S/c1-12-2-4-13(5-3-12)16(24)20-14-15(19)21-18(22-17(14)25)27-11-8-23-6-9-26-10-7-23/h2-5H,6-11H2,1H3,(H,20,24)(H3,19,21,22,25)