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

Systemtic Name: 5-(4-methylpentyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione Openeye Name: 5-isohexyl-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione CAS Name: 5-(4-methylpentyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione IUPAC Name: 5-(4-methylpentyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione Traditional Name: 5-isohexyl-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-quinone Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-4-5-6-10-23-18-19-16(22)15-13(9-7-8-12(2)3)11-14(21)24-17(15)20-18/h11-12H,4,7-10H2,1-3H3,(H,19,20,22)