3-[[5-bromanyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide

Systemtic Name: 3-[[5-bromanyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Openeye Name: 3-[[5-bromo-2-[[(3R)-pyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide CAS Name: 3-[[5-bromo-2-[[(3R)-3-pyrrolidinyl]amino]-4-pyrimidinyl]amino]-N,4-dimethylbenzamide IUPAC Name: 3-[[5-bromo-2-[[(3R)-pyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-N,4-dimethylbenzamide Traditional Name: 3-[[5-bromo-2-[[(3R)-pyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Formula: C17H21BrN6O MolecularWeight: 405.29224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC)NC2=NC(=NC=C2Br)NC3CCNC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC)NC2=NC(=NC=C2Br)N[C@@H]3CCNC3

InChI

InChI=1S/C17H21BrN6O/c1-10-3-4-11(16(25)19-2)7-14(10)23-15-13(18)9-21-17(24-15)22-12-5-6-20-8-12/h3-4,7,9,12,20H,5-6,8H2,1-2H3,(H,19,25)(H2,21,22,23,24)/t12-/m1/s1