N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-[(2-methylphenyl)-methylsulfonyl-amino]-N-propyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-[(2-methylphenyl)-methylsulfonyl-amino]-N-propyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(2-methyl-N-methylsulfonyl-anilino)-N-propyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(2-methyl-N-methylsulfonylanilino)-N-propylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methyl-N-methylsulfonylanilino)-N-propylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(N-mesyl-2-methyl-anilino)-N-propyl-acetamide Formula: C21H31N5O5S MolecularWeight: 465.56634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C)N

InChI

InChI=1S/C21H31N5O5S/c1-5-7-13-25-19(22)18(20(28)23-21(25)29)24(12-6-2)17(27)14-26(32(4,30)31)16-11-9-8-10-15(16)3/h8-11H,5-7,12-14,22H2,1-4H3,(H,23,28,29)