2-[4-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanoate

Systemtic Name: 2-[4-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanoate Openeye Name: 2-[4-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetate CAS Name: 2-[4-[[6-[cyclohexyloxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]phenyl]acetate IUPAC Name: 2-[4-[(6-cyclohexyloxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetate Traditional Name: 2-[4-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetate Formula: C22H22N3O4S- MolecularWeight: 424.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC(=O)[O-])C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC(=O)[O-])C(=O)OC4CCCCC4

InChI

InChI=1S/C22H23N3O4S/c1-13-18-20(25-15-9-7-14(8-10-15)11-17(26)27)23-12-24-21(18)30-19(13)22(28)29-16-5-3-2-4-6-16/h7-10,12,16H,2-6,11H2,1H3,(H,26,27)(H,23,24,25)/p-1