1,3,6-trimethyl-2,4-bis(oxidanylidene)-N-phenyl-pteridine-7-carbothioamide

Systemtic Name: 1,3,6-trimethyl-2,4-bis(oxidanylidene)-N-phenyl-pteridine-7-carbothioamide Openeye Name: 1,3,6-trimethyl-2,4-dioxo-N-phenyl-pteridine-7-carbothioamide CAS Name: 1,3,6-trimethyl-2,4-dioxo-N-phenyl-7-pteridinecarbothioamide IUPAC Name: 1,3,6-trimethyl-2,4-dioxo-N-phenylpteridine-7-carbothioamide Traditional Name: 2,4-diketo-1,3,6-trimethyl-N-phenyl-pteridine-7-carbothioamide Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N=C1C(=S)NC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC1=NC2=C(N=C1C(=S)NC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H15N5O2S/c1-9-11(14(24)18-10-7-5-4-6-8-10)19-13-12(17-9)15(22)21(3)16(23)20(13)2/h4-8H,1-3H3,(H,18,24)