4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propylamino]-2-fluoranyl-benzaldehyde

Systemtic Name: 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propylamino]-2-fluoranyl-benzaldehyde Openeye Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylamino]-2-fluoro-benzaldehyde CAS Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylamino]-2-fluorobenzaldehyde IUPAC Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylamino]-2-fluorobenzaldehyde Traditional Name: 4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propylamino]-2-fluoro-benzaldehyde Formula: C14H16FN5O2 MolecularWeight: 305.307543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCCCC2=C(NC(=NC2=O)N)N)F)C=O

Isomeric SMILES

C1=CC(=C(C=C1NCCCC2=C(NC(=NC2=O)N)N)F)C=O

InChI

InChI=1S/C14H16FN5O2/c15-11-6-9(4-3-8(11)7-21)18-5-1-2-10-12(16)19-14(17)20-13(10)22/h3-4,6-7,18H,1-2,5H2,(H5,16,17,19,20,22)