N-[6-azanyl-2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[6-amino-2-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[6-amino-2-[[2-(4-butylanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-amino-2-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[6-amino-2-[[2-(4-butylanilino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H23N5O3S2/c1-2-3-5-13-7-9-14(10-8-13)23-16(27)12-31-21-25-18(22)17(20(29)26-21)24-19(28)15-6-4-11-30-15/h4,6-11H,2-3,5,12H2,1H3,(H,23,27)(H,24,28)(H3,22,25,26,29)