1-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one

Systemtic Name: 1-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one Openeye Name: 1-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one CAS Name: 1-(5,6-dimethyl-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1,4-diazepan-5-one IUPAC Name: 1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one Traditional Name: 1-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC(=O)NCC3)C4=CC=CS4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC(=O)NCC3)C4=CC=CS4)C

InChI

InChI=1S/C17H18N4OS2/c1-10-11(2)24-17-14(10)16(21-7-5-13(22)18-6-8-21)19-15(20-17)12-4-3-9-23-12/h3-4,9H,5-8H2,1-2H3,(H,18,22)