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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-(3-bromanyl-1-adamantyl)-N-butyl-ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-(3-bromo-1-adamantyl)-N-butyl-acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-(3-bromo-1-adamantyl)-N-butylacetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(3-bromo-1-adamantyl)-N-butylacetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-(3-bromo-1-adamantyl)-N-butyl-acetamide Formula: C23H35BrN4O3 MolecularWeight: 495.453

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C23H35BrN4O3/c1-3-5-7-27(18-19(25)28(6-4-2)21(31)26-20(18)30)17(29)13-22-9-15-8-16(10-22)12-23(24,11-15)14-22/h15-16H,3-14,25H2,1-2H3,(H,26,30,31)