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

Systemtic Name: 3-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]propane-1,2-diol Openeye Name: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol CAS Name: 3-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]propane-1,2-diol IUPAC Name: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol Traditional Name: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol Formula: C16H16BrN5O2 MolecularWeight: 390.23454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Br)NCC(CO)O)NC2=NC=NC3=C2C=NC=C3

Isomeric SMILES

C1=CC(=C(C(=C1)Br)NCC(CO)O)NC2=NC=NC3=C2C=NC=C3

InChI

InChI=1S/C16H16BrN5O2/c17-12-2-1-3-14(15(12)19-6-10(24)8-23)22-16-11-7-18-5-4-13(11)20-9-21-16/h1-5,7,9-10,19,23-24H,6,8H2,(H,20,21,22)