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

Systemtic Name: 2-cyclopropyl-4,5-dimethyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-cyclopropyl-4,5-dimethyl-N-[4-(3-oxopiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-cyclopropyl-4,5-dimethyl-N-[4-(3-oxo-1-piperazinyl)phenyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-cyclopropyl-4,5-dimethyl-N-[4-(3-oxopiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-cyclopropyl-N-[4-(3-ketopiperazino)phenyl]-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NC4=CC=C(C=C4)N5CCNC(=O)C5

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NC4=CC=C(C=C4)N5CCNC(=O)C5

InChI

InChI=1S/C22H23N5O2S/c1-12-18-13(2)24-20(14-3-4-14)26-22(18)30-19(12)21(29)25-15-5-7-16(8-6-15)27-10-9-23-17(28)11-27/h5-8,14H,3-4,9-11H2,1-2H3,(H,23,28)(H,25,29)