4-methyl-6-(3-nitrophenyl)-2-phenyl-5-(piperazin-1-ylmethyl)pyrimidine dihydrochloride

Systemtic Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-(piperazin-1-ylmethyl)pyrimidine dihydrochloride Openeye Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-(piperazin-1-ylmethyl)pyrimidine dihydrochloride CAS Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-(1-piperazinylmethyl)pyrimidine dihydrochloride IUPAC Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-(piperazin-1-ylmethyl)pyrimidine dihydrochloride Traditional Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-(piperazinomethyl)pyrimidine dihydrochloride Formula: C22H25Cl2N5O2 MolecularWeight: 462.3722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CN2CCNCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC1=NC(=NC(=C1CN2CCNCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C22H23N5O2.2ClH/c1-16-20(15-26-12-10-23-11-13-26)21(18-8-5-9-19(14-18)27(28)29)25-22(24-16)17-6-3-2-4-7-17;;/h2-9,14,23H,10-13,15H2,1H3;2*1H