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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC)N

InChI

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