3-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]cyclohexa-2,4-dien-1-one

Systemtic Name: 3-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]cyclohexa-2,4-dien-1-one Openeye Name: 3-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]cyclohexa-2,4-dien-1-one CAS Name: 3-[(4-anilino-5-bromo-2-pyrimidinyl)amino]-1-cyclohexa-2,4-dienone IUPAC Name: 3-[(4-anilino-5-bromopyrimidin-2-yl)amino]cyclohexa-2,4-dien-1-one Traditional Name: 3-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]cyclohexa-2,4-dien-1-one Formula: C16H13BrN4O MolecularWeight: 357.20462

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CC1=O)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

Isomeric SMILES

C1C=CC(=CC1=O)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C16H13BrN4O/c17-14-10-18-16(20-12-7-4-8-13(22)9-12)21-15(14)19-11-5-2-1-3-6-11/h1-7,9-10H,8H2,(H2,18,19,20,21)