4-oxidanylidene-4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]butanoic acid Openeye Name: 4-oxo-4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]butanoic acid CAS Name: 4-oxo-4-[2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]ethylamino]butanoic acid IUPAC Name: 4-oxo-4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]butanoic acid Traditional Name: 4-keto-4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]butyric acid Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCNC(=O)CCC(=O)O

InChI

InChI=1S/C18H18N4O3S/c23-14(6-7-15(24)25)19-8-9-20-17-16-13(12-4-2-1-3-5-12)10-26-18(16)22-11-21-17/h1-5,10-11H,6-9H2,(H,19,23)(H,24,25)(H,20,21,22)