3-[[4-[(3,4-dimethoxyphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]phenol

Systemtic Name: 3-[[4-[(3,4-dimethoxyphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]phenol Openeye Name: 3-[[4-(3,4-dimethoxyanilino)-5-fluoro-pyrimidin-2-yl]amino]phenol CAS Name: 3-[[4-(3,4-dimethoxyanilino)-5-fluoro-2-pyrimidinyl]amino]phenol IUPAC Name: 3-[[4-(3,4-dimethoxyanilino)-5-fluoropyrimidin-2-yl]amino]phenol Traditional Name: 3-[[4-(3,4-dimethoxyanilino)-5-fluoro-pyrimidin-2-yl]amino]phenol Formula: C18H17FN4O3 MolecularWeight: 356.350983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)O)OC

InChI

InChI=1S/C18H17FN4O3/c1-25-15-7-6-12(9-16(15)26-2)21-17-14(19)10-20-18(23-17)22-11-4-3-5-13(24)8-11/h3-10,24H,1-2H3,(H2,20,21,22,23)