(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl]sulfanylmethyl]oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl]sulfanylmethyl]oxolane-3,4-diol Openeye Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl]sulfanylmethyl]tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-2-pyrimidin-1-iumyl]thio]methyl]oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylpyrimidin-1-ium-2-yl]sulfanylmethyl]oxolane-3,4-diol Traditional Name: (2R,3R,4S,5S)-2-adenin-9-yl-5-[[[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl]thio]methyl]tetrahydrofuran-3,4-diol Formula: C30H29N8O3S2+ MolecularWeight: 613.73306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C=C2N(C3=CC=CC=C3S2)C)SCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)C7=CC=CC=C7

Isomeric SMILES

CC1=[N+](C(=NC(=C1)/C=C\2/N(C3=CC=CC=C3S2)C)SC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)C7=CC=CC=C7

InChI

InChI=1S/C30H29N8O3S2/c1-17-12-18(13-23-36(2)20-10-6-7-11-22(20)43-23)35-30(38(17)19-8-4-3-5-9-19)42-14-21-25(39)26(40)29(41-21)37-16-34-24-27(31)32-15-33-28(24)37/h3-13,15-16,21,25-26,29,39-40H,14H2,1-2H3,(H2,31,32,33)/q+1/t21-,25-,26-,29-/m1/s1