4-chloranyl-2-(4-ethoxy-3-methoxy-phenyl)-6-methyl-5-[(2S)-2-methylbutyl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-chloranyl-2-(4-ethoxy-3-methoxy-phenyl)-6-methyl-5-[(2S)-2-methylbutyl]thieno[2,3-d]pyrimidine Openeye Name: 4-chloro-2-(4-ethoxy-3-methoxy-phenyl)-6-methyl-5-[(2S)-2-methylbutyl]thieno[2,3-d]pyrimidine CAS Name: 4-chloro-2-(4-ethoxy-3-methoxyphenyl)-6-methyl-5-[(2S)-2-methylbutyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-chloro-2-(4-ethoxy-3-methoxyphenyl)-6-methyl-5-[(2S)-2-methylbutyl]thieno[2,3-d]pyrimidine Traditional Name: 4-chloro-2-(4-ethoxy-3-methoxy-phenyl)-6-methyl-5-[(2S)-2-methylbutyl]thieno[2,3-d]pyrimidine Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=NC(=N2)C3=CC(=C(C=C3)OCC)OC)Cl)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=NC(=N2)C3=CC(=C(C=C3)OCC)OC)Cl)C

InChI

InChI=1S/C21H25ClN2O2S/c1-6-12(3)10-15-13(4)27-21-18(15)19(22)23-20(24-21)14-8-9-16(26-7-2)17(11-14)25-5/h8-9,11-12H,6-7,10H2,1-5H3/t12-/m0/s1