1-[3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]azepan-2-one

Systemtic Name: 1-[3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]azepan-2-one Openeye Name: 1-[3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]azepan-2-one CAS Name: 1-[3-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]propyl]-2-azepanone IUPAC Name: 1-[3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]azepan-2-one Traditional Name: 1-[3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]azepan-2-one Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC2=C3C=C(SC3=NC=N2)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC2=C3C=C(SC3=NC=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c26-19-10-5-2-6-12-25(19)13-7-11-22-20-17-14-18(16-8-3-1-4-9-16)27-21(17)24-15-23-20/h1,3-4,8-9,14-15H,2,5-7,10-13H2,(H,22,23,24)