5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-quinolin-6-yl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-quinolin-6-yl-1,3-diazinane-2,4,6-trione Openeye Name: 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-(6-quinolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-(6-quinolinyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-quinolin-6-yl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-(6-quinolyl)barbituric acid Formula: C19H12N6O3 MolecularWeight: 372.33698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)C3(C(=O)NC(=O)NC3=O)C4=C5C=CNC5=NC=N4)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)C3(C(=O)NC(=O)NC3=O)C4=C5C=CNC5=NC=N4)N=C1

InChI

InChI=1S/C19H12N6O3/c26-16-19(17(27)25-18(28)24-16,14-12-5-7-21-15(12)23-9-22-14)11-3-4-13-10(8-11)2-1-6-20-13/h1-9H,(H,21,22,23)(H2,24,25,26,27,28)