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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-methylsulfanyl-N-propyl-pyridine-3-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-methylsulfanyl-N-propyl-pyridine-3-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(methylthio)-N-propyl-3-pyridinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methylsulfanyl-N-propylpyridine-3-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(methylthio)-N-propyl-nicotinamide Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)C2=C(N=CC=C2)SC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)C2=C(N=CC=C2)SC)N

InChI

InChI=1S/C18H25N5O3S/c1-4-6-11-23-14(19)13(15(24)21-18(23)26)22(10-5-2)17(25)12-8-7-9-20-16(12)27-3/h7-9H,4-6,10-11,19H2,1-3H3,(H,21,24,26)