N-(3-bromophenyl)-4-(4-ethylpiperazin-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(3-bromophenyl)-4-(4-ethylpiperazin-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-bromophenyl)-4-(4-ethylpiperazin-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-bromophenyl)-4-(4-ethyl-1-piperazinyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-bromophenyl)-4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-bromophenyl)-4-(4-ethylpiperazino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22BrN5OS MolecularWeight: 460.39058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC(=CC=C4)Br)C

Isomeric SMILES

CCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC(=CC=C4)Br)C

InChI

InChI=1S/C20H22BrN5OS/c1-3-25-7-9-26(10-8-25)18-16-13(2)17(28-20(16)23-12-22-18)19(27)24-15-6-4-5-14(21)11-15/h4-6,11-12H,3,7-10H2,1-2H3,(H,24,27)