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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2,5-dimethyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-2,5-dimethyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethyl-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-2,5-dimethyl-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O2S/c1-12-17-19(26-8-4-5-9-26)24-13(2)25-21(17)29-18(12)20(27)23-11-14-10-15(22)6-7-16(14)28-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,23,27)