2-[1-(1,4-diazepan-1-yl)propyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(1,4-diazepan-1-yl)propyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-(1,4-diazepan-1-yl)propyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[1-(1,4-diazepan-1-yl)propyl]-3-phenethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[1-(1,4-diazepan-1-yl)propyl]-3-phenethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[1-(1,4-diazepan-1-yl)propyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C=CS2)C(=O)N1CCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CCC(C1=NC2=C(C=CS2)C(=O)N1CCC3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C22H28N4OS/c1-2-19(25-13-6-11-23-12-15-25)20-24-21-18(10-16-28-21)22(27)26(20)14-9-17-7-4-3-5-8-17/h3-5,7-8,10,16,19,23H,2,6,9,11-15H2,1H3