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Home > Other Heterocycles > 98204-48-9
98204-48-9 | 1,3-DIMETHYL-7-[2-OXO-2-(2-OXO-8-PHENETHYL-1-OXA-3,8-DIAZASPIRO[4.5]DEC-3-YL)ETHYL]PURINE-2,6-DIONE
CAS No: 98204-48-9 Catalog No: AG006SYD MDL No:
Product Description
Catalog Number:
AG006SYD
Chemical Name:
1,3-DIMETHYL-7-[2-OXO-2-(2-OXO-8-PHENETHYL-1-OXA-3,8-DIAZASPIRO[4.5]DEC-3-YL)ETHYL]PURINE-2,6-DIONE
CAS Number:
98204-48-9
Molecular Formula:
C24H28N6O5
Molecular Weight:
480.5163
IUPAC Name:
1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]purine-2,6-dione
InChI:
InChI=1S/C24H28N6O5/c1-26-20-19(21(32)27(2)22(26)33)29(16-25-20)14-18(31)30-15-24(35-23(30)34)9-12-28(13-10-24)11-8-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3
InChI Key:
DSRGPEAMMDAUGF-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(OC1=O)CCN(CC2)CCc1ccccc1)Cn1cnc2c1c(=O)n(C)c(=O)n2C
UNII:
000F949089
Properties
Complexity:
869
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.212g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.525g/mol
Monoisotopic Mass:
480.212g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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