7-phenacylidene-2-sulfanylidene-5,8-dihydro-1H-pteridine-4,6-dione

Systemtic Name: 7-phenacylidene-2-sulfanylidene-5,8-dihydro-1H-pteridine-4,6-dione Openeye Name: 7-phenacylidene-2-thioxo-5,8-dihydro-1H-pteridine-4,6-dione CAS Name: 7-phenacylidene-2-sulfanylidene-5,8-dihydro-1H-pteridine-4,6-dione IUPAC Name: 7-phenacylidene-2-sulfanylidene-5,8-dihydro-1H-pteridine-4,6-dione Traditional Name: 7-phenacylidene-2-thioxo-5,8-dihydro-1H-pteridine-4,6-quinone Formula: C14H10N4O3S MolecularWeight: 314.3192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=C2C(=O)NC3=C(N2)NC(=S)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C=C2C(=O)NC3=C(N2)NC(=S)NC3=O

InChI

InChI=1S/C14H10N4O3S/c19-9(7-4-2-1-3-5-7)6-8-12(20)16-10-11(15-8)17-14(22)18-13(10)21/h1-6H,(H,16,20)(H3,15,17,18,21,22)