N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]-N-methyl-propionamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)CCC3=C(NC(=NC3=O)SC)C

Isomeric SMILES

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)CCC3=C(NC(=NC3=O)SC)C

InChI

InChI=1S/C21H28N4O3S/c1-5-25-13-15(28-18-9-7-6-8-17(18)25)12-24(3)19(26)11-10-16-14(2)22-21(29-4)23-20(16)27/h6-9,15H,5,10-13H2,1-4H3,(H,22,23,27)