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

Systemtic Name: 1,3-dimethyl-6-[2-[4-(4-nitrophenoxy)butyl]piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[2-[4-(4-nitrophenoxy)butyl]piperazin-1-yl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[2-[4-(4-nitrophenoxy)butyl]-1-piperazinyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[2-[4-(4-nitrophenoxy)butyl]piperazin-1-yl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[2-[4-(4-nitrophenoxy)butyl]piperazino]pyrimidine-2,4-quinone Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCNCC2CCCCOC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCNCC2CCCCOC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O5/c1-22-18(13-19(26)23(2)20(22)27)24-11-10-21-14-16(24)5-3-4-12-30-17-8-6-15(7-9-17)25(28)29/h6-9,13,16,21H,3-5,10-12,14H2,1-2H3