3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-6-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-6-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 6-isobutyl-3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-6-(2-methylpropyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-6-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 6-isobutyl-3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]thieno[3,2-d]pyrimidin-4-one Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C(S1)C(=O)N(C=N2)C3=CC=C(C=C3)N4CCCN(CC4)C

Isomeric SMILES

CC(C)CC1=CC2=C(S1)C(=O)N(C=N2)C3=CC=C(C=C3)N4CCCN(CC4)C

InChI

InChI=1S/C22H28N4OS/c1-16(2)13-19-14-20-21(28-19)22(27)26(15-23-20)18-7-5-17(6-8-18)25-10-4-9-24(3)11-12-25/h5-8,14-16H,4,9-13H2,1-3H3