3-[3-oxidanylidene-4-[4-(pyrimidin-2-ylamino)butyl]-1,4-benzoxazin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[3-oxidanylidene-4-[4-(pyrimidin-2-ylamino)butyl]-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[3-oxo-4-[4-(pyrimidin-2-ylamino)butyl]-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[3-oxo-4-[4-(2-pyrimidinylamino)butyl]-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[3-oxo-4-[4-(pyrimidin-2-ylamino)butyl]-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[3-keto-4-[4-(2-pyrimidylamino)butyl]-1,4-benzoxazin-2-yl]benzamidine Formula: C23H24N6O2 MolecularWeight: 416.47566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(O2)C3=CC=CC(=C3)C(=N)N)CCCCNC4=NC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(O2)C3=CC=CC(=C3)C(=N)N)CCCCNC4=NC=CC=N4

InChI

InChI=1S/C23H24N6O2/c24-21(25)17-8-5-7-16(15-17)20-22(30)29(18-9-1-2-10-19(18)31-20)14-4-3-11-26-23-27-12-6-13-28-23/h1-2,5-10,12-13,15,20H,3-4,11,14H2,(H3,24,25)(H,26,27,28)