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62260-00-8 | 5,6,7,8-tetrahydro-2-Methyl-Pyrido[3,4-d]pyriMidin-4(3H)-one dihydrochloride
CAS No: 62260-00-8 Catalog No: AG00ECGE MDL No:
Product Description
Catalog Number:
AG00ECGE
Chemical Name:
5,6,7,8-tetrahydro-2-Methyl-Pyrido[3,4-d]pyriMidin-4(3H)-one dihydrochloride
CAS Number:
62260-00-8
Molecular Formula:
C8H13Cl2N3O
Molecular Weight:
238.1143
IUPAC Name:
2-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride
InChI:
InChI=1S/C8H11N3O.2ClH/c1-5-10-7-4-9-3-2-6(7)8(12)11-5;;/h9H,2-4H2,1H3,(H,10,11,12);2*1H
InChI Key:
JBAHNMCTZNQBNX-UHFFFAOYSA-N
SMILES:
Cc1nc2CNCCc2c(=O)[nH]1.Cl.Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
238.112g/mol
Monoisotopic Mass:
237.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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