4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate

Systemtic Name: 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate Openeye Name: 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate CAS Name: 4-[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]butanoate IUPAC Name: 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate Traditional Name: 4-[(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)amino]butyrate Formula: C18H18N3O3S- MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCCC(=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c1-2-24-13-7-5-12(6-8-13)14-10-25-18-16(14)17(20-11-21-18)19-9-3-4-15(22)23/h5-8,10-11H,2-4,9H2,1H3,(H,22,23)(H,19,20,21)/p-1