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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-(4-ethylpiperazin-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-(4-ethylpiperazin-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-4-(4-ethyl-1-piperazinyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-(4-ethylpiperazino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H36N6OS MolecularWeight: 444.63654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NCCCN4CCCCCC4)C

Isomeric SMILES

CCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NCCCN4CCCCCC4)C

InChI

InChI=1S/C23H36N6OS/c1-3-27-13-15-29(16-14-27)21-19-18(2)20(31-23(19)26-17-25-21)22(30)24-9-8-12-28-10-6-4-5-7-11-28/h17H,3-16H2,1-2H3,(H,24,30)