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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(3-methylquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-[(3-methyl-2-quinoxalinyl)thio]acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-[(3-methylquinoxalin-2-yl)thio]acetamide Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NC3=CC=CC=C3N=C2C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NC3=CC=CC=C3N=C2C

InChI

InChI=1S/C22H28N6O3S/c1-4-6-12-27(18-19(23)28(11-5-2)22(31)26-20(18)30)17(29)13-32-21-14(3)24-15-9-7-8-10-16(15)25-21/h7-10H,4-6,11-13,23H2,1-3H3,(H,26,30,31)