4-[2-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[[2-(6-amino-1-cyclopropyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[[2-(6-amino-1-cyclopropyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C24H18N6O4S MolecularWeight: 486.50252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N)N

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N)N

InChI

InChI=1S/C24H18N6O4S/c25-11-13-5-7-15(8-6-13)30-22(33)16-3-1-2-4-17(16)27-24(30)35-12-18(31)19-20(26)29(14-9-10-14)23(34)28-21(19)32/h1-8,14H,9-10,12,26H2,(H,28,32,34)