4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(3,4-dimethylphenyl)-1-piperazinyl]-5-nitro-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(3,4-dimethylphenyl)piperazino]-5-nitro-6-piperidino-pyrimidine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCCCC4)C

InChI

InChI=1S/C21H28N6O2/c1-16-6-7-18(14-17(16)2)24-10-12-26(13-11-24)21-19(27(28)29)20(22-15-23-21)25-8-4-3-5-9-25/h6-7,14-15H,3-5,8-13H2,1-2H3