1,3-dimethyl-6-[2-[3-(4-nitrophenyl)propylamino]ethyl-(1-oxidanylpropan-2-yl)amino]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[2-[3-(4-nitrophenyl)propylamino]ethyl-(1-oxidanylpropan-2-yl)amino]pyrimidine-2,4-dione Openeye Name: 6-[(2-hydroxy-1-methyl-ethyl)-[2-[3-(4-nitrophenyl)propylamino]ethyl]amino]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[1-hydroxypropan-2-yl-[2-[3-(4-nitrophenyl)propylamino]ethyl]amino]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[1-hydroxypropan-2-yl-[2-[3-(4-nitrophenyl)propylamino]ethyl]amino]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[(2-hydroxy-1-methyl-ethyl)-[2-[3-(4-nitrophenyl)propylamino]ethyl]amino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C20H29N5O5 MolecularWeight: 419.47476

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N(CCNCCCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(CO)N(CCNCCCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H29N5O5/c1-15(14-26)24(18-13-19(27)23(3)20(28)22(18)2)12-11-21-10-4-5-16-6-8-17(9-7-16)25(29)30/h6-9,13,15,21,26H,4-5,10-12,14H2,1-3H3