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

Systemtic Name: 2-cyclopropyl-4,5-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-cyclopropyl-4,5-dimethyl-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-cyclopropyl-4,5-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-2-cyclopropyl-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)NC(=O)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c1-4-11-23-22(29)26-16-9-7-15(8-10-16)25-20(28)18-12(2)17-13(3)24-19(14-5-6-14)27-21(17)30-18/h4,7-10,14H,1,5-6,11H2,2-3H3,(H,25,28)(H2,23,26,29)