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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-4-(1,3-dithiolan-2-yl)benzamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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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)C3SCCS3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C21H28N4O3S2/c1-3-5-11-24(16-17(22)25(10-4-2)21(28)23-18(16)26)19(27)14-6-8-15(9-7-14)20-29-12-13-30-20/h6-9,20H,3-5,10-13,22H2,1-2H3,(H,23,26,28)