N-[(5-bromanyl-2-methoxy-phenyl)methyl]-5-methyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-5-methyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-5-methyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-5-methyl-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCC3)C(=O)NCC4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCC3)C(=O)NCC4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C20H21BrN4O2S/c1-12-16-18(25-7-3-4-8-25)23-11-24-20(16)28-17(12)19(26)22-10-13-9-14(21)5-6-15(13)27-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,22,26)