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

Systemtic Name: 5-(3-methylbutyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione Openeye Name: 5-isopentyl-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione CAS Name: 5-(3-methylbutyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione IUPAC Name: 5-(3-methylbutyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione Traditional Name: 5-isoamyl-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-quinone Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-4-5-6-9-22-17-18-15(21)14-12(8-7-11(2)3)10-13(20)23-16(14)19-17/h10-11H,4,7-9H2,1-3H3,(H,18,19,21)