propan-2-yl 4-[6-[(4-cyclopropylsulfonyl-2-fluoranyl-phenyl)amino]-8-oxidanylidene-7H-purin-9-yl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[6-[(4-cyclopropylsulfonyl-2-fluoranyl-phenyl)amino]-8-oxidanylidene-7H-purin-9-yl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[6-(4-cyclopropylsulfonyl-2-fluoro-anilino)-8-oxo-7H-purin-9-yl]piperidine-1-carboxylate CAS Name: 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)-8-oxo-7H-purin-9-yl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)-8-oxo-7H-purin-9-yl]piperidine-1-carboxylate Traditional Name: 4-[6-(4-cyclopropylsulfonyl-2-fluoro-anilino)-8-keto-7H-purin-9-yl]piperidine-1-carboxylic acid isopropyl ester Formula: C23H27FN6O5S MolecularWeight: 518.561083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)N2C3=C(C(=NC=N3)NC4=C(C=C(C=C4)S(=O)(=O)C5CC5)F)NC2=O

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)N2C3=C(C(=NC=N3)NC4=C(C=C(C=C4)S(=O)(=O)C5CC5)F)NC2=O

InChI

InChI=1S/C23H27FN6O5S/c1-13(2)35-23(32)29-9-7-14(8-10-29)30-21-19(28-22(30)31)20(25-12-26-21)27-18-6-5-16(11-17(18)24)36(33,34)15-3-4-15/h5-6,11-15H,3-4,7-10H2,1-2H3,(H,28,31)(H,25,26,27)