6,7-dimethoxy-2-methylsulfonyl-4-(pyridin-4-ylmethyl)-1H-phthalazine

Systemtic Name: 6,7-dimethoxy-2-methylsulfonyl-4-(pyridin-4-ylmethyl)-1H-phthalazine Openeye Name: 6,7-dimethoxy-2-methylsulfonyl-4-(4-pyridylmethyl)-1H-phthalazine CAS Name: 6,7-dimethoxy-2-methylsulfonyl-4-(pyridin-4-ylmethyl)-1H-phthalazine IUPAC Name: 6,7-dimethoxy-2-methylsulfonyl-4-(pyridin-4-ylmethyl)-1H-phthalazine Traditional Name: 2-mesyl-6,7-dimethoxy-4-(4-pyridylmethyl)-1H-phthalazine Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CN(N=C2CC3=CC=NC=C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CN(N=C2CC3=CC=NC=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C17H19N3O4S/c1-23-16-9-13-11-20(25(3,21)22)19-15(14(13)10-17(16)24-2)8-12-4-6-18-7-5-12/h4-7,9-10H,8,11H2,1-3H3