1-[4-(6-aminopurin-9-yl)phenyl]-3-[2-(4-fluorophenyl)-5-(furan-2-yl)pyrazol-3-yl]urea

Systemtic Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[2-(4-fluorophenyl)-5-(furan-2-yl)pyrazol-3-yl]urea Openeye Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[2-(4-fluorophenyl)-5-(2-furyl)pyrazol-3-yl]urea CAS Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[2-(4-fluorophenyl)-5-(2-furanyl)-3-pyrazolyl]urea IUPAC Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[2-(4-fluorophenyl)-5-(furan-2-yl)pyrazol-3-yl]urea Traditional Name: 1-(4-adenin-9-ylphenyl)-3-[2-(4-fluorophenyl)-5-(2-furyl)pyrazol-3-yl]urea Formula: C25H18FN9O2 MolecularWeight: 495.467923

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NN(C(=C2)NC(=O)NC3=CC=C(C=C3)N4C=NC5=C4N=CN=C5N)C6=CC=C(C=C6)F

Isomeric SMILES

C1=COC(=C1)C2=NN(C(=C2)NC(=O)NC3=CC=C(C=C3)N4C=NC5=C4N=CN=C5N)C6=CC=C(C=C6)F

InChI

InChI=1S/C25H18FN9O2/c26-15-3-7-18(8-4-15)35-21(12-19(33-35)20-2-1-11-37-20)32-25(36)31-16-5-9-17(10-6-16)34-14-30-22-23(27)28-13-29-24(22)34/h1-14H,(H2,27,28,29)(H2,31,32,36)