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76871-95-9 | 5,6,7,8,9,11-HEXAHYDRO[1]BENZOTHIENO[2,3-D]IMIDAZO[1,2-A]PYRIMIDIN-2(3H)-ONE
CAS No: 76871-95-9 Catalog No: AG00587Q MDL No:
Product Description
Catalog Number:
AG00587Q
Chemical Name:
5,6,7,8,9,11-HEXAHYDRO[1]BENZOTHIENO[2,3-D]IMIDAZO[1,2-A]PYRIMIDIN-2(3H)-ONE
CAS Number:
76871-95-9
Molecular Formula:
C12H13N3OS
Molecular Weight:
247.3161
IUPAC Name:
8-thia-10,12,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-13-one;hydrochloride
InChI:
InChI=1S/C12H13N3OS.ClH/c16-10-6-15-5-8-7-3-1-2-4-9(7)17-11(8)14-12(15)13-10;/h1-6H2,(H,13,14,16);1H
InChI Key:
XXLYIUKAFIEFHW-UHFFFAOYSA-N
SMILES:
O=C1N=C2N(C1)Cc1c(N2)sc2c1CCCC2
NSC Number:
357687
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.774g/mol
Monoisotopic Mass:
283.055g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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