6-methoxy-N-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-2-amine

Systemtic Name: 6-methoxy-N-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine CAS Name: 6-methoxy-N-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C24H24N6O3S MolecularWeight: 476.55076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H24N6O3S/c1-33-18-7-8-19-20(14-18)34-24(27-19)28-22-21(30(31)32)23(26-15-25-22)29-11-9-17(10-12-29)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3,(H,25,26,27,28)