6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C22H18N6O2S2 MolecularWeight: 462.54732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H18N6O2S2/c1-12-15-10-14(30-2)7-8-16(15)25-20(23-12)28-21-24-13(9-19(29)27-21)11-31-22-26-17-5-3-4-6-18(17)32-22/h3-10H,11H2,1-2H3,(H2,23,24,25,27,28,29)