3-butyl-7-(furan-2-ylmethyl)-1-[(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-1-[(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-(2-furylmethyl)-1-[(8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)-1-[(8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-1-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)-1-[(4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl]xanthine Formula: C24H24N6O4 MolecularWeight: 460.48516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC(=O)N4C=CC(=CC4=N3)C)N(C=N2)CC5=CC=CO5

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC(=O)N4C=CC(=CC4=N3)C)N(C=N2)CC5=CC=CO5

InChI

InChI=1S/C24H24N6O4/c1-3-4-8-29-22-21(27(15-25-22)14-18-6-5-10-34-18)23(32)30(24(29)33)13-17-12-20(31)28-9-7-16(2)11-19(28)26-17/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3