4-(4-chlorophenyl)sulfanyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-[(4-chlorophenyl)thio]-5-nitro-pyrimidine Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN4O2S/c23-18-6-8-19(9-7-18)30-22-20(27(28)29)21(24-15-25-22)26-12-10-17(11-13-26)14-16-4-2-1-3-5-16/h1-9,15,17H,10-14H2