(2S)-2-azanyl-1-[6-methoxy-3-methyl-4-(phenylmethylsulfanyl)pyrazolo[3,4-b]quinolin-1-yl]-3-methyl-pentan-1-one

Systemtic Name: (2S)-2-azanyl-1-[6-methoxy-3-methyl-4-(phenylmethylsulfanyl)pyrazolo[3,4-b]quinolin-1-yl]-3-methyl-pentan-1-one Openeye Name: (2S)-2-amino-1-(4-benzylsulfanyl-6-methoxy-3-methyl-pyrazolo[3,4-b]quinolin-1-yl)-3-methyl-pentan-1-one CAS Name: (2S)-2-amino-1-[6-methoxy-3-methyl-4-(phenylmethylthio)-1-pyrazolo[3,4-b]quinolinyl]-3-methyl-1-pentanone IUPAC Name: (2S)-2-amino-1-(4-benzylsulfanyl-6-methoxy-3-methylpyrazolo[3,4-b]quinolin-1-yl)-3-methylpentan-1-one Traditional Name: (2S)-2-amino-1-[4-(benzylthio)-6-methoxy-3-methyl-pyrazolo[3,4-b]quinolin-1-yl]-3-methyl-pentan-1-one Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1C2=NC3=C(C=C(C=C3)OC)C(=C2C(=N1)C)SCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1C2=NC3=C(C=C(C=C3)OC)C(=C2C(=N1)C)SCC4=CC=CC=C4)N

InChI

InChI=1S/C25H28N4O2S/c1-5-15(2)22(26)25(30)29-24-21(16(3)28-29)23(32-14-17-9-7-6-8-10-17)19-13-18(31-4)11-12-20(19)27-24/h6-13,15,22H,5,14,26H2,1-4H3/t15?,22-/m0/s1