cyanomethyl 2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidine-6-carboxylate

Systemtic Name: cyanomethyl 2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidine-6-carboxylate Openeye Name: cyanomethyl 2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidine-6-carboxylate CAS Name: 2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidine-6-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidine-6-carboxylate Traditional Name: 2-amino-4-keto-5-(4-phenylbutyl)-1H-pyrimidine-6-carboxylic acid cyanomethyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)C(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)C(=O)OCC#N

InChI

InChI=1S/C17H18N4O3/c18-10-11-24-16(23)14-13(15(22)21-17(19)20-14)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-9,11H2,(H3,19,20,21,22)