N-[5-bromanyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-4-yl]prop-2-enamide

Systemtic Name: N-[5-bromanyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-4-yl]prop-2-enamide Openeye Name: N-[5-bromo-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrimidin-4-yl]prop-2-enamide CAS Name: N-[5-bromo-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-4-pyrimidinyl]-2-propenamide IUPAC Name: N-[5-bromo-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-4-yl]prop-2-enamide Traditional Name: N-[5-bromo-2-[(5-piperazino-2-pyridyl)amino]pyrimidin-4-yl]acrylamide Formula: C16H18BrN7O MolecularWeight: 404.26442

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=NC(=NC=C1Br)NC2=NC=C(C=C2)N3CCNCC3

Isomeric SMILES

C=CC(=O)NC1=NC(=NC=C1Br)NC2=NC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C16H18BrN7O/c1-2-14(25)22-15-12(17)10-20-16(23-15)21-13-4-3-11(9-19-13)24-7-5-18-6-8-24/h2-4,9-10,18H,1,5-8H2,(H2,19,20,21,22,23,25)