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204-86-4 | 9H-Cyclopenta[d]naphth[2',1':4,5]imidazo[1,2-a]pyrimidine
CAS No: 204-86-4 Catalog No: AG00298O MDL No:
Product Description
Catalog Number:
AG00298O
Chemical Name:
9H-Cyclopenta[d]naphth[2',1':4,5]imidazo[1,2-a]pyrimidine
CAS Number:
204-86-4
Molecular Formula:
C17H11N3
Molecular Weight:
257.2893
IUPAC Name:
2,9,11-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),3,5,8,10,13,15,17,19-nonaene
InChI:
InChI=1S/C17H11N3/c1-2-6-13-11(4-1)8-9-15-16(13)20-10-12-5-3-7-14(12)18-17(20)19-15/h1-6,8-10H,7H2
InChI Key:
JVFJGDVFJYTLFU-UHFFFAOYSA-N
SMILES:
C1=Cc2c(C1)nc1n(c2)c2c(n1)ccc1c2cccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.296g/mol
Monoisotopic Mass:
257.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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