N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-5-bromanyl-2-chloranyl-N-ethyl-benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-5-bromanyl-2-chloranyl-N-ethyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-5-bromo-2-chloro-N-ethyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-5-bromo-2-chloro-N-ethylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-2-chloro-N-ethylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-5-bromo-2-chloro-N-ethyl-benzamide Formula: C17H20BrClN4O3 MolecularWeight: 443.7227

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=C(C=CC(=C2)Br)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=C(C=CC(=C2)Br)Cl)N

InChI

InChI=1S/C17H20BrClN4O3/c1-3-5-8-23-14(20)13(15(24)21-17(23)26)22(4-2)16(25)11-9-10(18)6-7-12(11)19/h6-7,9H,3-5,8,20H2,1-2H3,(H,21,24,26)