N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-(1-propylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-(1-propylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(1-propylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-2-[(1-propyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(1-propylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-[(1-propylimidazol-2-yl)thio]acetamide Formula: C23H30N6O3S MolecularWeight: 470.5877

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=CN3CCC

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=CN3CCC

InChI

InChI=1S/C23H30N6O3S/c1-3-5-13-28(18(30)16-33-23-25-11-14-27(23)12-4-2)19-20(24)29(22(32)26-21(19)31)15-17-9-7-6-8-10-17/h6-11,14H,3-5,12-13,15-16,24H2,1-2H3,(H,26,31,32)