3,5-dimethyl-4-[(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)sulfonyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)sulfonyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)sulfonyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-(4-thieno[2,3-d]pyrimidinyl)-1,4-diazepan-1-yl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)sulfonyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)sulfonyl]isoxazole Formula: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C16H19N5O3S2/c1-11-14(12(2)24-19-11)26(22,23)21-6-3-5-20(7-8-21)15-13-4-9-25-16(13)18-10-17-15/h4,9-10H,3,5-8H2,1-2H3