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81532-73-2 | 4-ISOPROPOXY-2-(1-PIPERAZINYL)-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDINE OXALATE
CAS No: 81532-73-2 Catalog No: AG005K7G MDL No:
Product Description
Catalog Number:
AG005K7G
Chemical Name:
4-ISOPROPOXY-2-(1-PIPERAZINYL)-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDINE OXALATE
CAS Number:
81532-73-2
Molecular Formula:
C16H24N4O5
Molecular Weight:
352.3856
IUPAC Name:
oxalic acid;2-piperazin-1-yl-4-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
InChI:
InChI=1S/C14H22N4O.C2H2O4/c1-10(2)19-13-11-4-3-5-12(11)16-14(17-13)18-8-6-15-7-9-18;3-1(4)2(5)6/h10,15H,3-9H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
GDXZWQHANJFEKM-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CC(Oc1nc(nc2c1CCC2)N1CCNCC1)C
NSC Number:
369113
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.175g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
352.391g/mol
Monoisotopic Mass:
352.175g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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