2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-nitrophenyl)propane-1,3-diol

Systemtic Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-nitrophenyl)propane-1,3-diol Openeye Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-nitrophenyl)propane-1,3-diol CAS Name: 2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)propane-1,3-diol IUPAC Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-nitrophenyl)propane-1,3-diol Traditional Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-nitrophenyl)propane-1,3-diol Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H18N4O4S/c1-2-12-7-13-16(18-9-19-17(13)26-12)20-14(8-22)15(23)10-3-5-11(6-4-10)21(24)25/h3-7,9,14-15,22-23H,2,8H2,1H3,(H,18,19,20)