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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-5-methyl-4-(4-propyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-5-methyl-4-(4-propylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H38N6OS MolecularWeight: 458.66312

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NCCCN4CCCCCC4)C

Isomeric SMILES

CCCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NCCCN4CCCCCC4)C

InChI

InChI=1S/C24H38N6OS/c1-3-10-28-14-16-30(17-15-28)22-20-19(2)21(32-24(20)27-18-26-22)23(31)25-9-8-13-29-11-6-4-5-7-12-29/h18H,3-17H2,1-2H3,(H,25,31)