ethyl 3-(8-azanyl-6-oxidanylidene-purin-2-yl)-4-propoxy-benzoate

Systemtic Name: ethyl 3-(8-azanyl-6-oxidanylidene-purin-2-yl)-4-propoxy-benzoate Openeye Name: ethyl 3-(8-amino-6-oxo-purin-2-yl)-4-propoxy-benzoate CAS Name: 3-(8-amino-6-oxo-2-purinyl)-4-propoxybenzoic acid ethyl ester IUPAC Name: ethyl 3-(8-amino-6-oxopurin-2-yl)-4-propoxybenzoate Traditional Name: 3-(8-amino-6-keto-purin-2-yl)-4-propoxy-benzoic acid ethyl ester Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC)C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C17H17N5O4/c1-3-7-26-11-6-5-9(16(24)25-4-2)8-10(11)13-20-14-12(15(23)21-13)19-17(18)22-14/h5-6,8H,3-4,7H2,1-2H3,(H2,18,20,21,22,23)