[2-(6-benzamidopurin-9-yl)-2-carbazol-9-yl-ethyl] thiocyanate

Systemtic Name: [2-(6-benzamidopurin-9-yl)-2-carbazol-9-yl-ethyl] thiocyanate Openeye Name: [2-(6-benzamidopurin-9-yl)-2-carbazol-9-yl-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(6-benzamido-9-purinyl)-2-(9-carbazolyl)ethyl] ester IUPAC Name: [2-(6-benzamidopurin-9-yl)-2-carbazol-9-ylethyl] thiocyanate Traditional Name: thiocyanic acid [2-(6-benzamidopurin-9-yl)-2-carbazol-9-yl-ethyl] ester Formula: C27H19N7OS MolecularWeight: 489.55106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C(CSC#N)N4C5=CC=CC=C5C6=CC=CC=C64

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C(CSC#N)N4C5=CC=CC=C5C6=CC=CC=C64

InChI

InChI=1S/C27H19N7OS/c28-15-36-14-23(34-21-12-6-4-10-19(21)20-11-5-7-13-22(20)34)33-17-31-24-25(29-16-30-26(24)33)32-27(35)18-8-2-1-3-9-18/h1-13,16-17,23H,14H2,(H,29,30,32,35)