pentyl 3-(6-oxidanylidene-3H-purin-9-yl)-1H-pyrrole-2-carboxylate

Systemtic Name: pentyl 3-(6-oxidanylidene-3H-purin-9-yl)-1H-pyrrole-2-carboxylate Openeye Name: pentyl 3-(6-oxo-3H-purin-9-yl)-1H-pyrrole-2-carboxylate CAS Name: 3-(6-oxo-3H-purin-9-yl)-1H-pyrrole-2-carboxylic acid pentyl ester IUPAC Name: pentyl 3-(6-oxo-3H-purin-9-yl)-1H-pyrrole-2-carboxylate Traditional Name: 3-(6-keto-3H-purin-9-yl)-1H-pyrrole-2-carboxylic acid amyl ester Formula: C15H17N5O3 MolecularWeight: 315.32718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C=CN1)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CCCCCOC(=O)C1=C(C=CN1)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C15H17N5O3/c1-2-3-4-7-23-15(22)11-10(5-6-16-11)20-9-19-12-13(20)17-8-18-14(12)21/h5-6,8-9,16H,2-4,7H2,1H3,(H,17,18,21)