4-bromanyl-N-[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide

Systemtic Name: 4-bromanyl-N-[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide Openeye Name: 4-bromo-N-[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide CAS Name: 4-bromo-N-[2-[(2-cyclopropyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]ethyl]benzamide IUPAC Name: 4-bromo-N-[2-[(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide Traditional Name: 4-bromo-N-[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCCNC(=O)C3=CC=C(C=C3)Br)C4CC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCCNC(=O)C3=CC=C(C=C3)Br)C4CC4)C

InChI

InChI=1S/C20H21BrN4OS/c1-11-12(2)27-20-16(11)18(24-17(25-20)13-3-4-13)22-9-10-23-19(26)14-5-7-15(21)8-6-14/h5-8,13H,3-4,9-10H2,1-2H3,(H,23,26)(H,22,24,25)