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

Systemtic Name: 2-azanyl-1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-[3-(dimethylamino)propyl]-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-[3-(dimethylamino)propyl]-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C18H23N5O3S MolecularWeight: 389.47192

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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)CCCN(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CCCN(C)C)N

InChI

InChI=1S/C18H23N5O3S/c1-12-5-7-13(8-6-12)27(25,26)16-14-11-20-21-18(24)15(14)23(17(16)19)10-4-9-22(2)3/h5-8,11H,4,9-10,19H2,1-3H3,(H,21,24)