N-[4-[2-azanyl-4-[(3-ethyl-4-methyl-phenyl)amino]-6-oxidanylidene-pyrimidin-1-yl]butyl]thiophene-2-sulfonamide

Systemtic Name: N-[4-[2-azanyl-4-[(3-ethyl-4-methyl-phenyl)amino]-6-oxidanylidene-pyrimidin-1-yl]butyl]thiophene-2-sulfonamide Openeye Name: N-[4-[2-amino-4-(3-ethyl-4-methyl-anilino)-6-oxo-pyrimidin-1-yl]butyl]thiophene-2-sulfonamide CAS Name: N-[4-[2-amino-4-(3-ethyl-4-methylanilino)-6-oxo-1-pyrimidinyl]butyl]-2-thiophenesulfonamide IUPAC Name: N-[4-[2-amino-4-(3-ethyl-4-methylanilino)-6-oxopyrimidin-1-yl]butyl]thiophene-2-sulfonamide Traditional Name: N-[4-[2-amino-4-(3-ethyl-4-methyl-anilino)-6-keto-pyrimidin-1-yl]butyl]thiophene-2-sulfonamide Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=N2)N)CCCCNS(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=N2)N)CCCCNS(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H27N5O3S2/c1-3-16-13-17(9-8-15(16)2)24-18-14-19(27)26(21(22)25-18)11-5-4-10-23-31(28,29)20-7-6-12-30-20/h6-9,12-14,23-24H,3-5,10-11H2,1-2H3,(H2,22,25)