[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(phenylcarbonyl)piperazin-1-yl]ethane-1,2-dione

Systemtic Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(phenylcarbonyl)piperazin-1-yl]ethane-1,2-dione Openeye Name: [(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methylphosphonic acid; 1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione CAS Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; 1-(4-benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; 1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione Traditional Name: [(1R)-2-adenin-9-yl-1-methyl-ethoxy]methylphosphonic acid; 1-(4-benzoylpiperazino)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione Formula: C33H37N12O8P MolecularWeight: 760.696241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC.CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

Isomeric SMILES

CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC.C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

InChI

InChI=1S/C24H23N7O4.C9H14N5O4P/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16;1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-7,12-14,25H,8-11H2,1-2H3;3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t;6-/m.1/s1