2-azanyl-9-[(1-azanyl-3-phenylmethoxy-propan-2-yl)oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1-azanyl-3-phenylmethoxy-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(aminomethyl)-2-benzyloxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-amino-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-amino-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(aminomethyl)-2-benzoxy-ethoxy]methyl]-3H-purin-6-one Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CN)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)COCC(CN)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H20N6O3/c17-6-12(8-24-7-11-4-2-1-3-5-11)25-10-22-9-19-13-14(22)20-16(18)21-15(13)23/h1-5,9,12H,6-8,10,17H2,(H3,18,20,21,23)