1-azanyl-N-[3-[(5-bromanyl-4-prop-2-ynoxy-pyrimidin-2-yl)amino]-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxamide

Systemtic Name: 1-azanyl-N-[3-[(5-bromanyl-4-prop-2-ynoxy-pyrimidin-2-yl)amino]-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxamide Openeye Name: 1-amino-N-[3-[(5-bromo-4-prop-2-ynoxy-pyrimidin-2-yl)amino]-5-(hydroxymethyl)phenyl]cyclopentanecarboxamide CAS Name: 1-amino-N-[3-[(5-bromo-4-prop-2-ynoxy-2-pyrimidinyl)amino]-5-(hydroxymethyl)phenyl]-1-cyclopentanecarboxamide IUPAC Name: 1-amino-N-[3-[(5-bromo-4-prop-2-ynoxypyrimidin-2-yl)amino]-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxamide Traditional Name: 1-amino-N-[3-[(5-bromo-4-propargyloxy-pyrimidin-2-yl)amino]-5-methylol-phenyl]cyclopentanecarboxamide Formula: C20H22BrN5O3 MolecularWeight: 460.32438

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=NC(=NC=C1Br)NC2=CC(=CC(=C2)CO)NC(=O)C3(CCCC3)N

Isomeric SMILES

C#CCOC1=NC(=NC=C1Br)NC2=CC(=CC(=C2)CO)NC(=O)C3(CCCC3)N

InChI

InChI=1S/C20H22BrN5O3/c1-2-7-29-17-16(21)11-23-19(26-17)25-15-9-13(12-27)8-14(10-15)24-18(28)20(22)5-3-4-6-20/h1,8-11,27H,3-7,12,22H2,(H,24,28)(H,23,25,26)