N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-N-ethyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-N-ethyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanyl-N-ethyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-N-ethylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-ethylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]-N-ethyl-acetamide Formula: C22H29ClN6O3S MolecularWeight: 493.02206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CSC2=NC3=C(N2CCC)C=CC(=C3)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CSC2=NC3=C(N2CCC)C=CC(=C3)Cl)N

InChI

InChI=1S/C22H29ClN6O3S/c1-4-7-11-29-19(24)18(20(31)26-21(29)32)27(6-3)17(30)13-33-22-25-15-12-14(23)8-9-16(15)28(22)10-5-2/h8-9,12H,4-7,10-11,13,24H2,1-3H3,(H,26,31,32)