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

Systemtic Name: 2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C20H17N5O2S2/c1-12-5-4-6-13(9-12)25-16(21)10-17(26)24-20(25)28-11-18(27)23-19-22-14-7-2-3-8-15(14)29-19/h2-10H,11,21H2,1H3,(H,22,23,27)