6-azanyl-5-[2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]-1-cyclopropyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]-1-cyclopropyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-1-cyclopropyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-1-cyclopropylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-1-cyclopropylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(3-butyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]-1-cyclopropyl-pyrimidine-2,4-quinone Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)SC(=C2C)C

InChI

InChI=1S/C21H25N5O4S2/c1-4-5-8-25-19(29)14-10(2)11(3)32-18(14)24-21(25)31-9-13(27)15-16(22)26(12-6-7-12)20(30)23-17(15)28/h12H,4-9,22H2,1-3H3,(H,23,28,30)