2-azanyl-9-(1-phenylmethoxyheptan-2-yloxymethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(1-phenylmethoxyheptan-2-yloxymethyl)-3H-purin-6-one Openeye Name: 2-amino-9-[1-(benzyloxymethyl)hexoxymethyl]-3H-purin-6-one CAS Name: 2-amino-9-(1-phenylmethoxyheptan-2-yloxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(1-phenylmethoxyheptan-2-yloxymethyl)-3H-purin-6-one Traditional Name: 2-amino-9-[1-(benzoxymethyl)hexoxymethyl]-3H-purin-6-one Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CCCCCC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C20H27N5O3/c1-2-3-5-10-16(12-27-11-15-8-6-4-7-9-15)28-14-25-13-22-17-18(25)23-20(21)24-19(17)26/h4,6-9,13,16H,2-3,5,10-12,14H2,1H3,(H3,21,23,24,26)