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1255099-37-6 | Pyrido[3,4-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-7-(phenylmethyl)-, hydrochloride (1:2)
CAS No: 1255099-37-6 Catalog No: AG000NSK MDL No:MFCD17926280
Product Description
Catalog Number:
AG000NSK
Chemical Name:
Pyrido[3,4-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-7-(phenylmethyl)-, hydrochloride (1:2)
CAS Number:
1255099-37-6
Molecular Formula:
C14H16Cl3N3
Molecular Weight:
332.6559
MDL Number:
MFCD17926280
IUPAC Name:
7-benzyl-4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;dihydrochloride
InChI:
InChI=1S/C14H14ClN3.2ClH/c15-14-12-6-7-18(9-13(12)16-10-17-14)8-11-4-2-1-3-5-11;;/h1-5,10H,6-9H2;2*1H
InChI Key:
NWNUSHQFIUQGSZ-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1CCN(C2)Cc1ccccc1.Cl.Cl
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.653g/mol
Monoisotopic Mass:
331.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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