N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butyl-ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butyl-acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-(1,3-benzothiazol-2-ylthio)-N-butylacetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylthio)-N-butyl-acetamide Formula: C20H25N5O3S2 MolecularWeight: 447.5742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H25N5O3S2/c1-3-5-11-24(16-17(21)25(10-4-2)19(28)23-18(16)27)15(26)12-29-20-22-13-8-6-7-9-14(13)30-20/h6-9H,3-5,10-12,21H2,1-2H3,(H,23,27,28)