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1,3-dimethyl-6-[3-[(4-nitrophenyl)methylamino]propylamino]pyrimidine-2,4-dione; ethanedioic acid

1,3-dimethyl-6-[3-[(4-nitrophenyl)methylamino]propylamino]pyrimidine-2,4-dione; ethanedioic acid

Systemtic Name:1,3-dimethyl-6-[3-[(4-nitrophenyl)methylamino]propylamino]pyrimidine-2,4-dione; ethanedioic acid
Openeye Name:1,3-dimethyl-6-[3-[(4-nitrophenyl)methylamino]propylamino]pyrimidine-2,4-dione; oxalic acid
CAS Name:1,3-dimethyl-6-[3-[(4-nitrophenyl)methylamino]propylamino]pyrimidine-2,4-dione; oxalic acid
IUPAC Name:1,3-dimethyl-6-[3-[(4-nitrophenyl)methylamino]propylamino]pyrimidine-2,4-dione; oxalic acid
Traditional Name:1,3-dimethyl-6-[3-[(4-nitrobenzyl)amino]propylamino]pyrimidine-2,4-quinone; oxalic acid
Formula: C18H23N5O8
MolecularWeight: 437.40392
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCCNCC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O


Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCCNCC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O


InChI

InChI=1S/C16H21N5O4.C2H2O4/c1-19-14(10-15(22)20(2)16(19)23)18-9-3-8-17-11-12-4-6-13(7-5-12)21(24)25;3-1(4)2(5)6/h4-7,10,17-18H,3,8-9,11H2,1-2H3;(H,3,4)(H,5,6)


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