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

Systemtic Name: 5-(3-cyclopropylpropyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione Openeye Name: 5-(3-cyclopropylpropyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione CAS Name: 5-(3-cyclopropylpropyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione IUPAC Name: 5-(3-cyclopropylpropyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione Traditional Name: 5-(3-cyclopropylpropyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-quinone Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-2-3-4-10-23-18-19-16(22)15-13(7-5-6-12-8-9-12)11-14(21)24-17(15)20-18/h11-12H,2,5-10H2,1H3,(H,19,20,22)