4-(3-azanyl-5-bromanyl-pyridin-2-yl)oxy-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile

Systemtic Name: 4-(3-azanyl-5-bromanyl-pyridin-2-yl)oxy-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Openeye Name: 4-[(3-amino-5-bromo-2-pyridyl)oxy]-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile CAS Name: 4-[(3-amino-5-bromo-2-pyridinyl)oxy]-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile IUPAC Name: 4-(3-amino-5-bromopyridin-2-yl)oxy-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Traditional Name: 4-[(3-amino-5-bromo-2-pyridyl)oxy]-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Formula: C16H13BrN4O2 MolecularWeight: 373.20402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)OC3=NC=C(C=C3N)Br)C

Isomeric SMILES

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)OC3=NC=C(C=C3N)Br)C

InChI

InChI=1S/C16H13BrN4O2/c1-16(2)21-14(22-15-12(19)6-10(17)8-20-15)11-5-9(7-18)3-4-13(11)23-16/h3-6,8H,19H2,1-2H3