N-[(1-methylpyridin-1-ium-3-yl)methyl]-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-phenylmethoxy-pyrimido[5,4-d]pyrimidin-2-amine

Systemtic Name: N-[(1-methylpyridin-1-ium-3-yl)methyl]-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-phenylmethoxy-pyrimido[5,4-d]pyrimidin-2-amine Openeye Name: 8-benzyloxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-amine CAS Name: N-[(1-methyl-3-pyridin-1-iumyl)methyl]-4-(1-oxo-1,4-thiazinan-4-yl)-8-phenylmethoxy-2-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-[(1-methylpyridin-1-ium-3-yl)methyl]-4-(1-oxo-1,4-thiazinan-4-yl)-8-phenylmethoxypyrimido[5,4-d]pyrimidin-2-amine Traditional Name: [8-benzoxy-4-(1-keto-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]-[(1-methylpyridin-1-ium-3-yl)methyl]amine Formula: C24H26N7O2S+ MolecularWeight: 476.57394

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CNC2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3OCC5=CC=CC=C5

Isomeric SMILES

C[N+]1=CC=CC(=C1)CNC2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3OCC5=CC=CC=C5

InChI

InChI=1S/C24H26N7O2S/c1-30-9-5-8-19(15-30)14-25-24-28-21-20(22(29-24)31-10-12-34(32)13-11-31)26-17-27-23(21)33-16-18-6-3-2-4-7-18/h2-9,15,17H,10-14,16H2,1H3,(H,25,28,29)/q+1