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Reference, SMILES, CAS
number
, Chemical name...
Amb19804472
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Duplicate ID
Amb6753224
Molecule Name
10(1,3benzodioxol5yl)1,3dimethyl5(4methyl3nitrophenyl)1,7,8,10tetrahydro2Hpyrimido[4',5':3,4]pyrrolo[2,1c][1,4]oxazine2,4(3H)dione
Smiles
Cc1ccc(cc1[N+]([O-])=O)-c1c2c(c3C(OCC[n]13)c1cc3OCOc3cc1)N(C)C(=O)N(C)C2=O
InchiKey
PRXCPTUARXHKHX-UHFFFAOYSA-N
InChi
InChI=1S/C25H22N4O7/c1-13-4-5-14(10-16(13)29(32)33)20-19-21(26(2)25(31)27(3)24(19)30)22-23(34-9-8-28(20)22)15-6-7-17-18(11-15)36-12-35-17/h4-7,10-11,23H,8-9,12H2,1-3H3
Formula
C25H22N4O7
Molecular weight
490.465
Rings
6
logP
3.2938
PSA
122.44
MR
132.762
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