N2-(3-methoxypropyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-(3-methoxypropyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3-methoxypropyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]-(3-methoxypropyl)amine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COCCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N6O3/c1-29-13-5-10-22-20-23-18(21)17(26(27)28)19(24-20)25-11-8-16(9-12-25)14-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H3,21,22,23,24)