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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(1,3-benzothiazol-2-ylthio)-N-butylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylthio)-N-butyl-acetamide Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSC2=NC3=CC=CC=C3S2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSC2=NC3=CC=CC=C3S2)N

InChI

InChI=1S/C21H27N5O3S2/c1-3-5-11-25(17-18(22)26(12-6-4-2)20(29)24-19(17)28)16(27)13-30-21-23-14-9-7-8-10-15(14)31-21/h7-10H,3-6,11-13,22H2,1-2H3,(H,24,28,29)