1-(3-azanyl-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one

Systemtic Name: 1-(3-azanyl-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one Openeye Name: 1-(3-amino-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propan-1-one CAS Name: 1-(3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)-1-propanone IUPAC Name: 1-(3-amino-7-methoxypyrazolo[3,4-b]quinolin-1-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one Traditional Name: 1-(3-amino-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propan-1-one Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)CCN4C5=CC=CC=C5OC4=S)N

Isomeric SMILES

COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)CCN4C5=CC=CC=C5OC4=S)N

InChI

InChI=1S/C21H17N5O3S/c1-28-13-7-6-12-10-14-19(22)24-26(20(14)23-15(12)11-13)18(27)8-9-25-16-4-2-3-5-17(16)29-21(25)30/h2-7,10-11H,8-9H2,1H3,(H2,22,24)