N-(3-azanylpropyl)-N-[1-[6-bromanyl-4-oxidanylidene-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-(dimethylamino)-2-oxidanylidene-ethyl]-4-chloranyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[6-bromanyl-4-oxidanylidene-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-(dimethylamino)-2-oxidanylidene-ethyl]-4-chloranyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-6-bromo-4-oxo-thieno[3,2-d]pyrimidin-2-yl)-2-(dimethylamino)-2-oxo-ethyl]-4-chloro-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[6-bromo-4-oxo-3-(phenylmethyl)-2-thieno[3,2-d]pyrimidinyl]-2-(dimethylamino)-2-oxoethyl]-4-chlorobenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-6-bromo-4-oxothieno[3,2-d]pyrimidin-2-yl)-2-(dimethylamino)-2-oxoethyl]-4-chlorobenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-6-bromo-4-keto-thieno[3,2-d]pyrimidin-2-yl)-2-(dimethylamino)-2-keto-ethyl]-4-chloro-benzamide Formula: C27H27BrClN5O3S MolecularWeight: 616.95698

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC(=C2)Br)N(CCCN)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C)C(=O)C(C1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC(=C2)Br)N(CCCN)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H27BrClN5O3S/c1-32(2)26(36)22(33(14-6-13-30)25(35)18-9-11-19(29)12-10-18)24-31-20-15-21(28)38-23(20)27(37)34(24)16-17-7-4-3-5-8-17/h3-5,7-12,15,22H,6,13-14,16,30H2,1-2H3