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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[9,10-bis(oxidanylidene)anthracen-1-yl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(9,10-dioxo-1-anthryl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(9,10-dioxo-1-anthracenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(9,10-dioxoanthracen-1-yl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(9,10-diketo-1-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(=CC=C3)NC(=O)CSC4=NC(=O)C=C(N4)N

Isomeric SMILES

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

InChI

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