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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-methylsulfanyl-N-pentyl-pyridine-3-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-methylsulfanyl-N-pentyl-pyridine-3-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(methylthio)-N-pentyl-3-pyridinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methylsulfanyl-N-pentylpyridine-3-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-(methylthio)nicotinamide Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C20H29N5O3S/c1-4-6-8-13-24(19(27)14-10-9-11-22-18(14)29-3)15-16(21)25(12-7-5-2)20(28)23-17(15)26/h9-11H,4-8,12-13,21H2,1-3H3,(H,23,26,28)