4-oxidanylidene-N-(4-oxidanylidene-1H-pteridin-2-yl)-1H-quinazoline-2-carbothioamide

Systemtic Name: 4-oxidanylidene-N-(4-oxidanylidene-1H-pteridin-2-yl)-1H-quinazoline-2-carbothioamide Openeye Name: 4-oxo-N-(4-oxo-1H-pteridin-2-yl)-1H-quinazoline-2-carbothioamide CAS Name: 4-oxo-N-(4-oxo-1H-pteridin-2-yl)-1H-quinazoline-2-carbothioamide IUPAC Name: 4-oxo-N-(4-oxo-1H-pteridin-2-yl)-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(4-keto-1H-pteridin-2-yl)-1H-quinazoline-2-carbothioamide Formula: C15H9N7O2S MolecularWeight: 351.34266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC(=O)C4=NC=CN=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC(=O)C4=NC=CN=C4N3

InChI

InChI=1S/C15H9N7O2S/c23-12-7-3-1-2-4-8(7)18-11(19-12)14(25)22-15-20-10-9(13(24)21-15)16-5-6-17-10/h1-6H,(H,18,19,23)(H2,17,20,21,22,24,25)