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

Systemtic Name: 2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC)N

InChI

InChI=1S/C21H19N5O3S2/c1-12-4-3-5-13(8-12)26-17(22)10-18(27)25-21(26)30-11-19(28)24-20-23-15-7-6-14(29-2)9-16(15)31-20/h3-10H,11,22H2,1-2H3,(H,23,24,28)