2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(5-bromanylpyridin-2-yl)ethanamide

Systemtic Name: 2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(5-bromanylpyridin-2-yl)ethanamide Openeye Name: 2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(5-bromo-2-pyridyl)acetamide CAS Name: 2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-(5-bromo-2-pyridinyl)acetamide IUPAC Name: 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-bromopyridin-2-yl)acetamide Traditional Name: 2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]-N-(5-bromo-2-pyridyl)acetamide Formula: C18H16BrN5O2S MolecularWeight: 446.32094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NC=C(C=C3)Br)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NC=C(C=C3)Br)N

InChI

InChI=1S/C18H16BrN5O2S/c1-11-3-2-4-13(7-11)24-14(20)8-16(25)23-18(24)27-10-17(26)22-15-6-5-12(19)9-21-15/h2-9H,10,20H2,1H3,(H,21,22,26)