2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]ethanamide

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]ethanamide Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[2-[(5-nitro-2-pyridyl)amino]ethyl]acetamide CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]acetamide IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]acetamide Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-[2-[(5-nitro-2-pyridyl)amino]ethyl]acetamide Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O3S/c1-14-11-17(15-5-3-2-4-6-15)25-20(24-14)30-13-19(27)22-10-9-21-18-8-7-16(12-23-18)26(28)29/h2-8,11-12H,9-10,13H2,1H3,(H,21,23)(H,22,27)