2-but-2-ynoxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

Systemtic Name: 2-but-2-ynoxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione Openeye Name: 2-but-2-ynoxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione CAS Name: 2-but-2-ynoxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione IUPAC Name: 2-but-2-ynoxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione Traditional Name: 2-but-2-ynoxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-quinone Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=NC2=C(C(=CC(=O)O2)CCCC3CC3)C(=O)N1

Isomeric SMILES

CC#CCOC1=NC2=C(C(=CC(=O)O2)CCCC3CC3)C(=O)N1

InChI

InChI=1S/C17H18N2O4/c1-2-3-9-22-17-18-15(21)14-12(6-4-5-11-7-8-11)10-13(20)23-16(14)19-17/h10-11H,4-9H2,1H3,(H,18,19,21)