methyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-[[2-[5-[[[[5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]hydrazinyl]methylideneamino]pentanoate

Systemtic Name: methyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-[[2-[5-[[[[5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]hydrazinyl]methylideneamino]pentanoate Openeye Name: methyl 5-[[2-[5-[[[(3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]hydrazino]methyleneamino]-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]pentanoate CAS Name: 5-[[[5-[[[[3,4-dihydroxy-5-(3-imidazo[2,1-f]purinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxy-2-oxolanyl]hydrazo]methylideneamino]-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]pentanoic acid methyl ester IUPAC Name: methyl 5-[[2-[5-[[[(3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl)methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]hydrazinyl]methylideneamino]-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoate Traditional Name: 5-[[N'-[5-[[[(3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]hydrazino]methyleneamino]-2-(naphthionylamino)valeric acid methyl ester Formula: C36H48N10O17P2S MolecularWeight: 986.835642

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCCN=CNNC3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN7C6=NC=C7)O)O)O)O)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCCN=CNNC3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN7C6=NC=C7)O)O)O)O)C(=O)OC

InChI

InChI=1S/C36H48N10O17P2S/c1-44(2)23-10-4-8-21-20(23)7-5-11-26(21)66(56,57)43-22(36(51)58-3)9-6-12-37-17-41-42-34-30(49)28(47)24(61-34)15-59-64(52,53)63-65(54,55)60-16-25-29(48)31(50)35(62-25)46-19-39-27-32-38-13-14-45(32)18-40-33(27)46/h4-5,7-8,10-11,13-14,17-19,22,24-25,28-31,34-35,42-43,47-50H,6,9,12,15-16H2,1-3H3,(H,37,41)(H,52,53)(H,54,55)