2-azanyl-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-[(4-methoxyphenyl)methyl]-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-p-anisyl-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC4=CC=C(C=C4)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC4=CC=C(C=C4)OC)N

InChI

InChI=1S/C21H20N4O4S/c1-13-3-9-16(10-4-13)30(27,28)19-17-11-23-24-21(26)18(17)25(20(19)22)12-14-5-7-15(29-2)8-6-14/h3-11H,12,22H2,1-2H3,(H,24,26)