2-(3-azanylpropyl)-7-(phenylmethyl)-3H-purin-6-one hydrochloride

Systemtic Name: 2-(3-azanylpropyl)-7-(phenylmethyl)-3H-purin-6-one hydrochloride Openeye Name: 2-(3-aminopropyl)-7-benzyl-3H-purin-6-one hydrochloride CAS Name: 2-(3-aminopropyl)-7-(phenylmethyl)-3H-purin-6-one hydrochloride IUPAC Name: 2-(3-aminopropyl)-7-benzyl-3H-purin-6-one hydrochloride Traditional Name: 2-(3-aminopropyl)-7-benzyl-3H-purin-6-one hydrochloride Formula: C15H18ClN5O MolecularWeight: 319.78932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)CCCN.Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)CCCN.Cl

InChI

InChI=1S/C15H17N5O.ClH/c16-8-4-7-12-18-14-13(15(21)19-12)20(10-17-14)9-11-5-2-1-3-6-11;/h1-3,5-6,10H,4,7-9,16H2,(H,18,19,21);1H