3-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]-methyl-amino]propane-1,2-diol

Systemtic Name: 3-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]-methyl-amino]propane-1,2-diol Openeye Name: 3-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol CAS Name: 3-[2-bromo-N-methyl-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]propane-1,2-diol IUPAC Name: 3-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol Traditional Name: 3-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol Formula: C17H18BrN5O2 MolecularWeight: 404.26112

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CO)O)C1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3

Isomeric SMILES

CN(CC(CO)O)C1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3

InChI

InChI=1S/C17H18BrN5O2/c1-23(8-11(25)9-24)16-13(18)3-2-4-15(16)22-17-12-7-19-6-5-14(12)20-10-21-17/h2-7,10-11,24-25H,8-9H2,1H3,(H,20,21,22)