2,8-bis(azanyl)-9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-7,8-dihydro-3H-purin-6-one

Systemtic Name: 2,8-bis(azanyl)-9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-7,8-dihydro-3H-purin-6-one Openeye Name: 2,8-diamino-9-[[2-benzyloxy-1-(benzyloxymethyl)ethoxy]methyl]-7,8-dihydro-3H-purin-6-one CAS Name: 2,8-diamino-9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-7,8-dihydro-3H-purin-6-one IUPAC Name: 2,8-diamino-9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-7,8-dihydro-3H-purin-6-one Traditional Name: 2,8-diamino-9-[[2-benzoxy-1-(benzoxymethyl)ethoxy]methyl]-7,8-dihydro-3H-purin-6-one Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OCN3C(NC4=C3NC(=NC4=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OCN3C(NC4=C3NC(=NC4=O)N)N

InChI

InChI=1S/C23H28N6O4/c24-22-27-20-19(21(30)28-22)26-23(25)29(20)15-33-18(13-31-11-16-7-3-1-4-8-16)14-32-12-17-9-5-2-6-10-17/h1-10,18,23,26H,11-15,25H2,(H3,24,27,28,30)