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

Systemtic Name: 1,3-dimethyl-6-[4-[(3-methyl-4-nitro-phenyl)methyl]piperazin-1-yl]pyrimidine-2,4-dione hydrochloride Openeye Name: 1,3-dimethyl-6-[4-[(3-methyl-4-nitro-phenyl)methyl]piperazin-1-yl]pyrimidine-2,4-dione hydrochloride CAS Name: 1,3-dimethyl-6-[4-[(3-methyl-4-nitrophenyl)methyl]-1-piperazinyl]pyrimidine-2,4-dione hydrochloride IUPAC Name: 1,3-dimethyl-6-[4-[(3-methyl-4-nitrophenyl)methyl]piperazin-1-yl]pyrimidine-2,4-dione hydrochloride Traditional Name: 1,3-dimethyl-6-[4-(3-methyl-4-nitro-benzyl)piperazino]pyrimidine-2,4-quinone hydrochloride Formula: C18H24ClN5O4 MolecularWeight: 409.86726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C)[N+](=O)[O-].Cl

InChI

InChI=1S/C18H23N5O4.ClH/c1-13-10-14(4-5-15(13)23(26)27)12-21-6-8-22(9-7-21)16-11-17(24)20(3)18(25)19(16)2;/h4-5,10-11H,6-9,12H2,1-3H3;1H