2-azanyl-9-(3-chloranyl-2-oxidanyl-propyl)-8-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(3-chloranyl-2-oxidanyl-propyl)-8-(phenylmethyl)-3H-purin-6-one Openeye Name: 2-amino-8-benzyl-9-(3-chloro-2-hydroxy-propyl)-3H-purin-6-one CAS Name: 2-amino-9-(3-chloro-2-hydroxypropyl)-8-(phenylmethyl)-3H-purin-6-one IUPAC Name: 2-amino-8-benzyl-9-(3-chloro-2-hydroxypropyl)-3H-purin-6-one Traditional Name: 2-amino-8-benzyl-9-(3-chloro-2-hydroxy-propyl)-3H-purin-6-one Formula: C15H16ClN5O2 MolecularWeight: 333.77284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(N2CC(CCl)O)NC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(N2CC(CCl)O)NC(=NC3=O)N

InChI

InChI=1S/C15H16ClN5O2/c16-7-10(22)8-21-11(6-9-4-2-1-3-5-9)18-12-13(21)19-15(17)20-14(12)23/h1-5,10,22H,6-8H2,(H3,17,19,20,23)