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

Systemtic Name: methyl 6-[[5-(4-methoxyphenyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate Openeye Name: methyl 6-[[5-(4-methoxyphenyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate CAS Name: 6-[[5-(4-methoxyphenyl)-6-phenyl-4-thieno[2,3-d]pyrimidinyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[5-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-yl]amino]hexanoate Traditional Name: 6-[[5-(4-methoxyphenyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-yl]amino]hexanoic acid methyl ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NCCCCCC(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NCCCCCC(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S/c1-31-20-14-12-18(13-15-20)22-23-25(27-16-8-4-7-11-21(30)32-2)28-17-29-26(23)33-24(22)19-9-5-3-6-10-19/h3,5-6,9-10,12-15,17H,4,7-8,11,16H2,1-2H3,(H,27,28,29)