2-(cyanoamino)-1-[2-(1H-indol-3-yl)ethyl]-6-oxidanylidene-4,5-dihydropyrimidine-4-carboxylic acid

Systemtic Name: 2-(cyanoamino)-1-[2-(1H-indol-3-yl)ethyl]-6-oxidanylidene-4,5-dihydropyrimidine-4-carboxylic acid Openeye Name: 2-(cyanoamino)-1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidine-4-carboxylic acid CAS Name: 2-(cyanoamino)-1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidine-4-carboxylic acid IUPAC Name: 2-(cyanoamino)-1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidine-4-carboxylic acid Traditional Name: 2-(cyanoamino)-1-[2-(1H-indol-3-yl)ethyl]-6-keto-4,5-dihydropyrimidine-4-carboxylic acid Formula: C16H15N5O3 MolecularWeight: 325.322

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(N(C1=O)CCC2=CNC3=CC=CC=C32)NC#N)C(=O)O

Isomeric SMILES

C1C(N=C(N(C1=O)CCC2=CNC3=CC=CC=C32)NC#N)C(=O)O

InChI

InChI=1S/C16H15N5O3/c17-9-19-16-20-13(15(23)24)7-14(22)21(16)6-5-10-8-18-12-4-2-1-3-11(10)12/h1-4,8,13,18H,5-7H2,(H,19,20)(H,23,24)