6-azanyl-1,3-dimethyl-5-[2-(3-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-(3-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-(3-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[2-[(3-methyl-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxopropyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-(3-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(4-keto-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]propanoyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H21N5O4S2 MolecularWeight: 483.56324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C

Isomeric SMILES

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C

InChI

InChI=1S/C22H21N5O4S2/c1-11(16(28)15-17(23)25(2)22(31)27(4)20(15)30)33-21-24-18-14(19(29)26(21)3)13(10-32-18)12-8-6-5-7-9-12/h5-11H,23H2,1-4H3