N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide CAS Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-(6-ethyl-4-keto-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide Formula: C27H21N5O3S MolecularWeight: 495.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C27H21N5O3S/c1-2-16-14-24(33)30-27(28-16)32-23(15-19(31-32)22-12-7-13-36-22)29-26(34)25-17-8-3-5-10-20(17)35-21-11-6-4-9-18(21)25/h3-15,25H,2H2,1H3,(H,29,34)(H,28,30,33)