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101629-11-2 | 4(1H)-Pteridinone, 5,6,7,8-tetrahydro-6,7-dimethyl-, (6R-cis)- (9CI)
CAS No: 101629-11-2 Catalog No: AG00050R MDL No:
Product Description
Catalog Number:
AG00050R
Chemical Name:
4(1H)-Pteridinone, 5,6,7,8-tetrahydro-6,7-dimethyl-, (6R-cis)- (9CI)
CAS Number:
101629-11-2
Molecular Formula:
C8H12N4O
Molecular Weight:
180.2071
IUPAC Name:
(6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
InChI:
InChI=1S/C8H12N4O/c1-4-5(2)12-7-6(11-4)8(13)10-3-9-7/h3-5,11H,1-2H3,(H2,9,10,12,13)/t4-,5+/m1/s1
InChI Key:
PLTWQEOGSOECQD-UHNVWZDZSA-N
SMILES:
C[C@H]1Nc2c(=O)nc[nH]c2N[C@H]1C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
180.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.211g/mol
Monoisotopic Mass:
180.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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