2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-methylisoxazol-3-yl)butanamide CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(5-methyl-3-isoxazolyl)butanamide IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(5-methylisoxazol-3-yl)butyramide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

InChI

InChI=1S/C20H23N5O3S/c1-3-15(19(27)22-17-11-13(2)28-24-17)29-20-23-18(26)12-16(21)25(20)10-9-14-7-5-4-6-8-14/h4-8,11-12,15H,3,9-10,21H2,1-2H3,(H,22,24,27)