[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hept-6-ynoate; N,N-diethylethanamine

Systemtic Name: [[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hept-6-ynoate; N,N-diethylethanamine Openeye Name: [[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hept-6-ynoate; N,N-diethylethanamine CAS Name: N,N-diethylethanamine; 6-heptynoic acid [[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] ester IUPAC Name: [[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hept-6-ynoate; N,N-diethylethanamine Traditional Name: hept-6-ynoic acid [[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] ester; triethylamine Formula: C29H53N7O11P2 MolecularWeight: 737.718942

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CCN(CC)CC.C#CCCCCC(=O)OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CCN(CC)CC.CCN(CC)CC.C#CCCCCC(=O)OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C17H23N5O11P2.2C6H15N/c1-2-3-4-5-6-11(23)32-35(28,29)33-34(26,27)30-7-10-13(24)14(25)17(31-10)22-9-21-12-15(18)19-8-20-16(12)22;2*1-4-7(5-2)6-3/h1,8-10,13-14,17,24-25H,3-7H2,(H,26,27)(H,28,29)(H2,18,19,20);2*4-6H2,1-3H3