1-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one

Systemtic Name: 1-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one Openeye Name: 1-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one CAS Name: 1-(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1,4-diazepan-5-one IUPAC Name: 1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one Traditional Name: 1-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one Formula: C18H18N4OS MolecularWeight: 338.42672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCC(=O)NCC4

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCC(=O)NCC4

InChI

InChI=1S/C18H18N4OS/c1-12-20-17(22-9-7-15(23)19-8-10-22)16-14(11-24-18(16)21-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,19,23)