N-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-piperidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O3S/c1-12-17-19(25-8-4-3-5-9-25)22-13(2)23-21(17)29-18(12)20(26)24-14-6-7-15-16(10-14)28-11-27-15/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,24,26)