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89177-10-6 | 5H-Pyrrolo[3,2-d]pyrimidine-7-carboxaldehyde, 4-(ethylthio)-2-phenyl-
CAS No: 89177-10-6 Catalog No: AG006382 MDL No:
Product Description
Catalog Number:
AG006382
Chemical Name:
5H-Pyrrolo[3,2-d]pyrimidine-7-carboxaldehyde, 4-(ethylthio)-2-phenyl-
CAS Number:
89177-10-6
Molecular Formula:
C15H13N3OS
Molecular Weight:
283.3482
IUPAC Name:
4-ethylsulfanyl-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde
InChI:
InChI=1S/C15H13N3OS/c1-2-20-15-13-12(11(9-19)8-16-13)17-14(18-15)10-6-4-3-5-7-10/h3-9,16H,2H2,1H3
InChI Key:
DXNLRPADXKZGFJ-UHFFFAOYSA-N
SMILES:
CCSc1nc(nc2c1[nH]cc2C=O)c1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.349g/mol
Monoisotopic Mass:
283.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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