2,8-bis(azanyl)-9-[[3-(4-chloranylphenoxy)-3-oxidanyl-propoxy]methyl]-3H-purin-6-one

Systemtic Name: 2,8-bis(azanyl)-9-[[3-(4-chloranylphenoxy)-3-oxidanyl-propoxy]methyl]-3H-purin-6-one Openeye Name: 2,8-diamino-9-[[3-(4-chlorophenoxy)-3-hydroxy-propoxy]methyl]-3H-purin-6-one CAS Name: 2,8-diamino-9-[[3-(4-chlorophenoxy)-3-hydroxypropoxy]methyl]-3H-purin-6-one IUPAC Name: 2,8-diamino-9-[[3-(4-chlorophenoxy)-3-hydroxypropoxy]methyl]-3H-purin-6-one Traditional Name: 2,8-diamino-9-[[3-(4-chlorophenoxy)-3-hydroxy-propoxy]methyl]-3H-purin-6-one Formula: C15H17ClN6O4 MolecularWeight: 380.78628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(CCOCN2C3=C(C(=O)N=C(N3)N)N=C2N)O)Cl

Isomeric SMILES

C1=CC(=CC=C1OC(CCOCN2C3=C(C(=O)N=C(N3)N)N=C2N)O)Cl

InChI

InChI=1S/C15H17ClN6O4/c16-8-1-3-9(4-2-8)26-10(23)5-6-25-7-22-12-11(19-15(22)18)13(24)21-14(17)20-12/h1-4,10,23H,5-7H2,(H2,18,19)(H3,17,20,21,24)