2-azanyl-9-[2,3-bis(phenylmethoxy)propoxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2,3-bis(phenylmethoxy)propoxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-(2,3-dibenzyloxypropoxymethyl)-3H-purin-6-one CAS Name: 2-amino-9-[2,3-bis(phenylmethoxy)propoxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2,3-bis(phenylmethoxy)propoxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-(2,3-dibenzoxypropoxymethyl)-3H-purin-6-one Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(COCN2C=NC3=C2NC(=NC3=O)N)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COCC(COCN2C=NC3=C2NC(=NC3=O)N)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O4/c24-23-26-21-20(22(29)27-23)25-15-28(21)16-31-14-19(32-12-18-9-5-2-6-10-18)13-30-11-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H3,24,26,27,29)