2-azanyl-9-[12-[(phenylmethyl)amino]dodecyl]-3H-purin-6-one hydrochloride

Systemtic Name: 2-azanyl-9-[12-[(phenylmethyl)amino]dodecyl]-3H-purin-6-one hydrochloride Openeye Name: 2-amino-9-[12-(benzylamino)dodecyl]-3H-purin-6-one hydrochloride CAS Name: 2-amino-9-[12-[(phenylmethyl)amino]dodecyl]-3H-purin-6-one hydrochloride IUPAC Name: 2-amino-9-[12-(benzylamino)dodecyl]-3H-purin-6-one hydrochloride Traditional Name: 2-amino-9-[12-(benzylamino)dodecyl]-3H-purin-6-one hydrochloride Formula: C24H37ClN6O MolecularWeight: 461.04318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCCCCCCCCCN2C=NC3=C2NC(=NC3=O)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCCCCCCCCCN2C=NC3=C2NC(=NC3=O)N.Cl

InChI

InChI=1S/C24H36N6O.ClH/c25-24-28-22-21(23(31)29-24)27-19-30(22)17-13-8-6-4-2-1-3-5-7-12-16-26-18-20-14-10-9-11-15-20;/h9-11,14-15,19,26H,1-8,12-13,16-18H2,(H3,25,28,29,31);1H