4-[2,4-bis(fluoranyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine

Systemtic Name: 4-[2,4-bis(fluoranyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(2,4-difluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(2,4-difluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(2,4-difluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(2,4-difluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C14H14F2N4 MolecularWeight: 276.284566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=NC(=NC(=C2C1)C3=C(C=C(C=C3)F)F)N

Isomeric SMILES

C1CCNC2=NC(=NC(=C2C1)C3=C(C=C(C=C3)F)F)N

InChI

InChI=1S/C14H14F2N4/c15-8-4-5-9(11(16)7-8)12-10-3-1-2-6-18-13(10)20-14(17)19-12/h4-5,7H,1-3,6H2,(H3,17,18,19,20)