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

Systemtic Name: 1-(5,6-dimethyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one Openeye Name: 1-[5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one CAS Name: 1-[5,6-dimethyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]-1,4-diazepan-5-one IUPAC Name: 1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one Traditional Name: 1-[5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS/c1-11-12(2)25-18-15(11)17(23-8-5-14(24)20-7-9-23)21-16(22-18)13-4-3-6-19-10-13/h3-4,6,10H,5,7-9H2,1-2H3,(H,20,24)