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

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-cyclopropyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NC(C)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NC(C)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O3S/c1-10-17-12(3)22-19(13-4-5-13)24-21(17)28-18(10)20(25)23-11(2)14-6-7-15-16(8-14)27-9-26-15/h6-8,11,13H,4-5,9H2,1-3H3,(H,23,25)