1-[4-[(4-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[4-[(4-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[4-(4-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[4-(4-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(4-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[4-methyl-5-nitro-6-(p-anisidino)pyrimidin-2-yl]isonipecotamide Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCC(CC2)C(=O)N)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCC(CC2)C(=O)N)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c1-11-15(24(26)27)17(21-13-3-5-14(28-2)6-4-13)22-18(20-11)23-9-7-12(8-10-23)16(19)25/h3-6,12H,7-10H2,1-2H3,(H2,19,25)(H,20,21,22)