N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-4-(methylsulfanylmethyl)benzamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-4-(methylsulfanylmethyl)benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-4-(methylsulfanylmethyl)benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-4-[(methylthio)methyl]benzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(methylsulfanylmethyl)benzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-4-[(methylthio)methyl]benzamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC=C(C=C2)CSC

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC=C(C=C2)CSC

InChI

InChI=1S/C20H28N4O3S/c1-4-6-12-23(19(26)15-9-7-14(8-10-15)13-28-3)16-17(21)24(11-5-2)20(27)22-18(16)25/h7-10H,4-6,11-13,21H2,1-3H3,(H,22,25,27)