1,3-dimethyl-6-[4-[3-(4-nitrophenoxy)-2-propoxy-propyl]piperazin-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenoxy)-2-propoxy-propyl]piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenoxy)-2-propoxy-propyl]piperazin-1-yl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenoxy)-2-propoxypropyl]-1-piperazinyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenoxy)-2-propoxypropyl]piperazin-1-yl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenoxy)-2-propoxy-propyl]piperazino]pyrimidine-2,4-quinone Formula: C22H31N5O6 MolecularWeight: 461.51144

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CN1CCN(CC1)C2=CC(=O)N(C(=O)N2C)C)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC(CN1CCN(CC1)C2=CC(=O)N(C(=O)N2C)C)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O6/c1-4-13-32-19(16-33-18-7-5-17(6-8-18)27(30)31)15-25-9-11-26(12-10-25)20-14-21(28)24(3)22(29)23(20)2/h5-8,14,19H,4,9-13,15-16H2,1-3H3