2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[9,10-bis(oxidanylidene)anthracen-2-yl]ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[9,10-bis(oxidanylidene)anthracen-2-yl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(9,10-dioxo-2-anthryl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(9,10-dioxo-2-anthracenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(9,10-dioxoanthracen-2-yl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(9,10-diketo-2-anthryl)acetamide Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CSC4=NC(=O)C=C(N4)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CSC4=NC(=O)C=C(N4)N

InChI

InChI=1S/C20H14N4O4S/c21-15-8-16(25)24-20(23-15)29-9-17(26)22-10-5-6-13-14(7-10)19(28)12-4-2-1-3-11(12)18(13)27/h1-8H,9H2,(H,22,26)(H3,21,23,24,25)