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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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