3-bromanyl-N-[2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]benzamide Openeye Name: 3-bromo-N-[2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]benzamide CAS Name: 3-bromo-N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]benzamide IUPAC Name: 3-bromo-N-[2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide Traditional Name: 3-bromo-N-[2-[[2-(isoamylamino)-2-keto-ethyl]thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]benzamide Formula: C20H21BrN4O3S2 MolecularWeight: 509.43974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC2=C(C(=O)N1NC(=O)C3=CC(=CC=C3)Br)SC=C2

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC2=C(C(=O)N1NC(=O)C3=CC(=CC=C3)Br)SC=C2

InChI

InChI=1S/C20H21BrN4O3S2/c1-12(2)6-8-22-16(26)11-30-20-23-15-7-9-29-17(15)19(28)25(20)24-18(27)13-4-3-5-14(21)10-13/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,22,26)(H,24,27)