6,7-dimethyl-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(2-methyl-4-quinazolinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(2-methylquinazolin-4-yl)thio]methyl]coumarin Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=NC4=CC=CC=C43)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=NC4=CC=CC=C43)C)C

InChI

InChI=1S/C21H18N2O2S/c1-12-8-17-15(10-20(24)25-19(17)9-13(12)2)11-26-21-16-6-4-5-7-18(16)22-14(3)23-21/h4-10H,11H2,1-3H3