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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-(methylthio)nicotinamide Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O3S/c1-4-6-11-23(18(26)13-9-8-10-21-17(13)28-3)14-15(20)24(12-7-5-2)19(27)22-16(14)25/h8-10H,4-7,11-12,20H2,1-3H3,(H,22,25,27)