4-chloranyl-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-chloranyl-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-chloro-5-nitro-pyrimidine CAS Name: 4-chloro-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-chloro-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-chloro-5-nitro-pyrimidine Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)Cl)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)Cl)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5O2/c22-20-19(27(28)29)21(24-15-23-20)26-13-11-25(12-14-26)18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2