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1313516-92-5 | Pyrrolo[2,1-h]pteridin-6(5H)-one, 2-chloro-6a,7,8,9-tetrahydro-5-methyl-, (6aR)-
CAS No: 1313516-92-5 Catalog No: AG000VZS MDL No:
Product Description
Catalog Number:
AG000VZS
Chemical Name:
Pyrrolo[2,1-h]pteridin-6(5H)-one, 2-chloro-6a,7,8,9-tetrahydro-5-methyl-, (6aR)-
CAS Number:
1313516-92-5
Molecular Formula:
C10H11ClN4O
Molecular Weight:
238.6735
IUPAC Name:
(6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
InChI:
InChI=1S/C10H11ClN4O/c1-14-7-5-12-10(11)13-8(7)15-4-2-3-6(15)9(14)16/h5-6H,2-4H2,1H3/t6-/m0/s1
InChI Key:
QOBVGSJQFSUNLW-LURJTMIESA-N
SMILES:
O=C1[C@H]2CCCN2c2c(N1C)cnc(n2)Cl
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
238.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.675g/mol
Monoisotopic Mass:
238.062g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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