1,3-dimethyl-6-[4-[3-(3-methyl-4-nitro-phenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O5/c1-15-13-16(5-6-17(15)25(28)29)30-12-4-7-23-8-10-24(11-9-23)18-14-19(26)22(3)20(27)21(18)2/h5-6,13-14H,4,7-12H2,1-3H3