2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[1,3-dimethyl-2,4-dioxo-7-(2-thienyl)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,4-dioxo-7-thiophen-2-yl-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[[2,4-diketo-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidin-5-yl]thio]-N-(3,5-dimethylphenyl)acetamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CS4)C

InChI

InChI=1S/C22H21N5O3S2/c1-12-8-13(2)10-14(9-12)23-16(28)11-32-20-17-19(26(3)22(30)27(4)21(17)29)24-18(25-20)15-6-5-7-31-15/h5-10H,11H2,1-4H3,(H,23,28)