ethyl 4-[4-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[4-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[4-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoylamino]benzoate CAS Name: 4-[[4-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[4-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=NC(=C3C(=C(SC3=N2)C)C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=NC(=C3C(=C(SC3=N2)C)C)N

InChI

InChI=1S/C21H24N4O3S2/c1-4-28-20(27)14-7-9-15(10-8-14)23-16(26)6-5-11-29-21-24-18(22)17-12(2)13(3)30-19(17)25-21/h7-10H,4-6,11H2,1-3H3,(H,23,26)(H2,22,24,25)