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4-[N-Bis(butoxycarbonyl)amino]-7-[3-(3-methyl-1-(N-phenylsulfonyl)-2,3-dihydroindol-3-yl)-2-methylenepropyl]purine
SpectraBase Compound ID 2y97khwp8Hh
InChI InChI=1S/C34H40N6O6S/c1-23(18-34(8)20-39(26-17-13-12-16-25(26)34)47(43,44)24-14-10-9-11-15-24)19-38-22-37-27-28(38)35-21-36-29(27)40(30(41)45-32(2,3)4)31(42)46-33(5,6)7/h9-17,21-22H,1,18-20H2,2-8H3
InChIKey XQLWWVJCUJDOLO-UHFFFAOYSA-N
Mol Weight 660.8 g/mol
Molecular Formula C34H40N6O6S
Exact Mass 660.273004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAz4ksmsC37
Name 4-[N-Bis(butoxycarbonyl)amino]-7-[3-(3-methyl-1-(N-phenylsulfonyl)-2,3-dihydroindol-3-yl)-2-methylenepropyl]purine
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Formula C34H40N6O6S
InChI InChI=1S/C34H40N6O6S/c1-23(18-34(8)20-39(26-17-13-12-16-25(26)34)47(43,44)24-14-10-9-11-15-24)19-38-22-37-27-28(38)35-21-36-29(27)40(30(41)45-32(2,3)4)31(42)46-33(5,6)7/h9-17,21-22H,1,18-20H2,2-8H3
InChIKey XQLWWVJCUJDOLO-UHFFFAOYSA-N
Molecular Weight 660.790 g/mol
SMILES c12N(S(=O)(=O)c3ccccc3)CC(c1cccc2)(CC(C[n]1c2c(c(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)ncn2)nc1)=C)C
SPLASH splash10-001i-6931000000-04c12fa880e2c6e107c8
Source of Spectrum F-56-7559-6
Wiley ID 858671