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

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-(5-cyclopropyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 5-[2-(3-allyl-5-cyclopropyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-6-amino-1-cyclopropyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[2-[(5-cyclopropyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-(5-cyclopropyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 5-[2-[(3-allyl-5-cyclopropyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]-6-amino-1-cyclopropyl-pyrimidine-2,4-quinone Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)SC=C2C5CC5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)SC=C2C5CC5

InChI

InChI=1S/C21H21N5O4S2/c1-2-7-25-19(29)14-12(10-3-4-10)8-31-18(14)24-21(25)32-9-13(27)15-16(22)26(11-5-6-11)20(30)23-17(15)28/h2,8,10-11H,1,3-7,9,22H2,(H,23,28,30)