2-[2,6-dimethoxy-4-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2,6-dimethoxy-4-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2,6-dimethoxy-4-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)thio]-2-pyrimidinyl]amino]phenoxy]ethyl ester IUPAC Name: 2-[2,6-dimethoxy-4-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)thio]pyrimidin-2-yl]amino]phenoxy]ethyl ester Formula: C28H29N3O7S2 MolecularWeight: 583.67576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=C(C=C(C=C2OC)NC3=NC=CC(=N3)SC4=CC=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=C(C=C(C=C2OC)NC3=NC=CC(=N3)SC4=CC=CC(=C4)OC)OC

InChI

InChI=1S/C28H29N3O7S2/c1-19-8-10-23(11-9-19)40(32,33)38-15-14-37-27-24(35-3)16-20(17-25(27)36-4)30-28-29-13-12-26(31-28)39-22-7-5-6-21(18-22)34-2/h5-13,16-18H,14-15H2,1-4H3,(H,29,30,31)