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10083-98-4 | Benzoic acid, 4-[[3-(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)propyl]amino]-
CAS No: 10083-98-4 Catalog No: AG0002ZF MDL No:
Product Description
Catalog Number:
AG0002ZF
Chemical Name:
Benzoic acid, 4-[[3-(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)propyl]amino]-
CAS Number:
10083-98-4
Molecular Formula:
C16H16N6O3
Molecular Weight:
340.3366
IUPAC Name:
4-[3-(2-amino-4-oxo-3H-pteridin-6-yl)propylamino]benzoic acid
InChI:
InChI=1S/C16H16N6O3/c17-16-21-13-12(14(23)22-16)20-11(8-19-13)2-1-7-18-10-5-3-9(4-6-10)15(24)25/h3-6,8,18H,1-2,7H2,(H,24,25)(H3,17,19,21,22,23)
InChI Key:
ZLTCAKWCTZNZKX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)NCCCc1cnc2c(n1)c(=O)[nH]c(n2)N
NSC Number:
94676
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.128g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
340.343g/mol
Monoisotopic Mass:
340.128g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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