N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-(methylthio)nicotinamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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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)C3=C(N=CC=C3)SC

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C22H25N5O3S/c1-3-4-13-26(21(29)16-11-8-12-24-20(16)31-2)17-18(23)27(22(30)25-19(17)28)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14,23H2,1-2H3,(H,25,28,30)