2-azanyl-6-chloranyl-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-7H-purin-8-one

Systemtic Name: 2-azanyl-6-chloranyl-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-7H-purin-8-one Openeye Name: 2-amino-9-[4-benzyloxy-3-(benzyloxymethyl)butyl]-6-chloro-7H-purin-8-one CAS Name: 2-amino-6-chloro-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-7H-purin-8-one IUPAC Name: 2-amino-6-chloro-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-7H-purin-8-one Traditional Name: 2-amino-9-[4-benzoxy-3-(benzoxymethyl)butyl]-6-chloro-7H-purin-8-one Formula: C24H26ClN5O3 MolecularWeight: 467.94794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CCN2C3=C(C(=NC(=N3)N)Cl)NC2=O)COCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COCC(CCN2C3=C(C(=NC(=N3)N)Cl)NC2=O)COCC4=CC=CC=C4

InChI

InChI=1S/C24H26ClN5O3/c25-21-20-22(29-23(26)28-21)30(24(31)27-20)12-11-19(15-32-13-17-7-3-1-4-8-17)16-33-14-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,27,31)(H2,26,28,29)