(2R)-2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(5-chloranylpyridin-2-yl)butanamide

Systemtic Name: (2R)-2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(5-chloranylpyridin-2-yl)butanamide Openeye Name: (2R)-2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(5-chloro-2-pyridyl)butanamide CAS Name: (2R)-2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-(5-chloro-2-pyridinyl)butanamide IUPAC Name: (2R)-2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-chloropyridin-2-yl)butanamide Traditional Name: (2R)-2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]-N-(5-chloro-2-pyridyl)butyramide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC(=O)C=C(N2C3=CC=CC(=C3)C)N

Isomeric SMILES

CC[C@H](C(=O)NC1=NC=C(C=C1)Cl)SC2=NC(=O)C=C(N2C3=CC=CC(=C3)C)N

InChI

InChI=1S/C20H20ClN5O2S/c1-3-15(19(28)24-17-8-7-13(21)11-23-17)29-20-25-18(27)10-16(22)26(20)14-6-4-5-12(2)9-14/h4-11,15H,3,22H2,1-2H3,(H,23,24,28)/t15-/m1/s1