[(2R,3R,4R,5R)-2-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-4-oxidanyl-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] N-(2-azanylethyl)carbamate

Systemtic Name: [(2R,3R,4R,5R)-2-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-4-oxidanyl-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] N-(2-azanylethyl)carbamate Openeye Name: [(2R,3R,4R,5R)-2-(2-amino-6-thioxo-3H-purin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] N-(2-aminoethyl)carbamate CAS Name: N-(2-aminoethyl)carbamic acid [(2R,3R,4R,5R)-2-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-2-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-(2-aminoethyl)carbamate Traditional Name: N-(2-aminoethyl)carbamic acid [(2R,3R,4R,5R)-2-(2-amino-6-thioxo-3H-purin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C13H22N7O14P3S MolecularWeight: 625.338563

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OC(=O)NCCN)NC(=NC2=S)N

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OC(=O)NCCN)NC(=NC2=S)N

InChI

InChI=1S/C13H22N7O14P3S/c14-1-2-16-13(22)32-8-7(21)5(3-30-36(26,27)34-37(28,29)33-35(23,24)25)31-11(8)20-4-17-6-9(20)18-12(15)19-10(6)38/h4-5,7-8,11,21H,1-3,14H2,(H,16,22)(H,26,27)(H,28,29)(H2,23,24,25)(H3,15,18,19,38)/t5-,7-,8-,11-/m1/s1