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

Systemtic Name: 1-[4-methyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[4-(benzylamino)-6-methyl-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[4-methyl-5-nitro-6-[(phenylmethyl)amino]-2-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(benzylamino)-6-methyl-5-nitropyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[4-(benzylamino)-6-methyl-5-nitro-pyrimidin-2-yl]isonipecotamide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCC(CC2)C(=O)N)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCC(CC2)C(=O)N)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3/c1-12-15(24(26)27)17(20-11-13-5-3-2-4-6-13)22-18(21-12)23-9-7-14(8-10-23)16(19)25/h2-6,14H,7-11H2,1H3,(H2,19,25)(H,20,21,22)