4-(azocan-1-yl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-(azocan-1-yl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azocan-1-yl)-5-methyl-N-[(3-methylisoxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azocanyl)-5-methyl-N-[(3-methyl-5-isoxazolyl)methyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azocan-1-yl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azocan-1-yl)-5-methyl-N-[(3-methylisoxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CNC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCCC4)C

Isomeric SMILES

CC1=NOC(=C1)CNC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCCC4)C

InChI

InChI=1S/C20H25N5O2S/c1-13-10-15(27-24-13)11-21-19(26)17-14(2)16-18(22-12-23-20(16)28-17)25-8-6-4-3-5-7-9-25/h10,12H,3-9,11H2,1-2H3,(H,21,26)