N-(2-benzamidoethyl)-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(2-benzamidoethyl)-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-benzamidoethyl)-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-benzamidoethyl)-2-cyclopropyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-benzamidoethyl)-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-benzamidoethyl)-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NCCNC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NCCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-12-16-13(2)24-18(14-8-9-14)25-21(16)28-17(12)20(27)23-11-10-22-19(26)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3,(H,22,26)(H,23,27)