[2-[[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]-methyl-amino]-2-phosphonato-3-propan-2-yloxycarbonyloxy-propyl] propan-2-yl carbonate

Systemtic Name: [2-[[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]-methyl-amino]-2-phosphonato-3-propan-2-yloxycarbonyloxy-propyl] propan-2-yl carbonate Openeye Name: [2-[[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]-methyl-amino]-3-isopropoxycarbonyloxy-2-phosphonato-propyl] isopropyl carbonate CAS Name: carbonic acid [2-[[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]-methylamino]-3-[oxo(propan-2-yloxy)methoxy]-2-phosphonatopropyl] propan-2-yl ester IUPAC Name: [2-[[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]-methylamino]-2-phosphonato-3-propan-2-yloxycarbonyloxypropyl] propan-2-yl carbonate Traditional Name: carbonic acid [2-[[1-(adenin-9-ylmethyl)cyclopropyl]-methyl-amino]-3-isopropoxycarbonyloxy-2-phosphonato-propyl] isopropyl ester Formula: C21H31N6O9P-2 MolecularWeight: 542.479401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)OCC(COC(=O)OC(C)C)(N(C)C1(CC1)CN2C=NC3=C2N=CN=C3N)P(=O)([O-])[O-]

Isomeric SMILES

CC(C)OC(=O)OCC(COC(=O)OC(C)C)(N(C)C1(CC1)CN2C=NC3=C2N=CN=C3N)P(=O)([O-])[O-]

InChI

InChI=1S/C21H33N6O9P/c1-13(2)35-18(28)33-9-21(37(30,31)32,10-34-19(29)36-14(3)4)26(5)20(6-7-20)8-27-12-25-15-16(22)23-11-24-17(15)27/h11-14H,6-10H2,1-5H3,(H2,22,23,24)(H2,30,31,32)/p-2