diethyl 2,2-bis[2-[9-(phenylmethyl)purin-6-yl]ethyl]propanedioate

Systemtic Name: diethyl 2,2-bis[2-[9-(phenylmethyl)purin-6-yl]ethyl]propanedioate Openeye Name: diethyl 2,2-bis[2-(9-benzylpurin-6-yl)ethyl]propanedioate CAS Name: 2,2-bis[2-[9-(phenylmethyl)-6-purinyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2,2-bis[2-(9-benzylpurin-6-yl)ethyl]propanedioate Traditional Name: 2,2-bis[2-(9-benzylpurin-6-yl)ethyl]malonic acid diethyl ester Formula: C35H36N8O4 MolecularWeight: 632.71154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)(CCC4=C5C(=NC=N4)N(C=N5)CC6=CC=CC=C6)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)(CCC4=C5C(=NC=N4)N(C=N5)CC6=CC=CC=C6)C(=O)OCC

InChI

InChI=1S/C35H36N8O4/c1-3-46-33(44)35(34(45)47-4-2,17-15-27-29-31(38-21-36-27)42(23-40-29)19-25-11-7-5-8-12-25)18-16-28-30-32(39-22-37-28)43(24-41-30)20-26-13-9-6-10-14-26/h5-14,21-24H,3-4,15-20H2,1-2H3