N,N-bis(2-methoxyethyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N,N-bis(2-methoxyethyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N,N-bis(2-methoxyethyl)-5-nitro-pyrimidin-4-amine CAS Name: N,N-bis(2-methoxyethyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N,N-bis(2-methoxyethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N5O4/c1-30-14-12-26(13-15-31-2)22-20(27(28)29)21(23-17-24-22)25-10-8-19(9-11-25)16-18-6-4-3-5-7-18/h3-7,17,19H,8-16H2,1-2H3