4-(4-methylphenyl)sulfanyl-5-nitro-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 5-nitro-4-(p-tolylsulfanyl)-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[(4-methylphenyl)thio]-5-nitro-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-pyrrolidin-1-ylpyrimidine Traditional Name: 5-nitro-4-(p-tolylthio)-6-pyrrolidino-pyrimidine Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C15H16N4O2S/c1-11-4-6-12(7-5-11)22-15-13(19(20)21)14(16-10-17-15)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3