[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-phenylmethoxy-propyl] propanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-phenylmethoxy-propyl] propanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-benzyloxy-propyl] propanoate CAS Name: propanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-phenylmethoxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-phenylmethoxypropyl] propanoate Traditional Name: propionic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-benzoxy-propyl] ester Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CCC(=O)OCC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C19H23N5O5/c1-2-15(25)28-10-14(9-27-8-13-6-4-3-5-7-13)29-12-24-11-21-16-17(24)22-19(20)23-18(16)26/h3-7,11,14H,2,8-10,12H2,1H3,(H3,20,22,23,26)