2-(4-azanyl-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-5-yl)-1,4-bis(4-methylphenyl)butane-1,4-dione

Systemtic Name: 2-(4-azanyl-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-5-yl)-1,4-bis(4-methylphenyl)butane-1,4-dione Openeye Name: 2-(4-amino-6-oxo-2-thioxo-5H-pyrimidin-5-yl)-1,4-bis(p-tolyl)butane-1,4-dione CAS Name: 2-(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-1,4-bis(4-methylphenyl)butane-1,4-dione IUPAC Name: 2-(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-1,4-bis(4-methylphenyl)butane-1,4-dione Traditional Name: 2-(4-amino-6-keto-2-thioxo-5H-pyrimidin-5-yl)-1,4-bis(p-tolyl)butane-1,4-dione Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2C(=NC(=S)NC2=O)N)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C2C(=NC(=S)NC2=O)N)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H21N3O3S/c1-12-3-7-14(8-4-12)17(26)11-16(18-20(23)24-22(29)25-21(18)28)19(27)15-9-5-13(2)6-10-15/h3-10,16,18H,11H2,1-2H3,(H3,23,24,25,28,29)