3-[(3-bromanyl-4-methoxy-phenyl)methyl]-5-ethyl-2-(oxan-4-ylamino)-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl]-5-ethyl-2-(oxan-4-ylamino)-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl]-5-ethyl-2-(tetrahydropyran-4-ylamino)-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-5-ethyl-2-(4-oxanylamino)-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-5-ethyl-2-(oxan-4-ylamino)-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one Traditional Name: 3-(3-bromo-4-methoxy-benzyl)-5-ethyl-2-(tetrahydropyran-4-ylamino)-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one Formula: C23H29BrN6O3 MolecularWeight: 517.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)NC4CCOCC4)N5C1=NCCC5

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)NC4CCOCC4)N5C1=NCCC5

InChI

InChI=1S/C23H29BrN6O3/c1-3-28-21(31)19-20(29-10-4-9-25-23(28)29)27-22(26-16-7-11-33-12-8-16)30(19)14-15-5-6-18(32-2)17(24)13-15/h5-6,13,16H,3-4,7-12,14H2,1-2H3,(H,26,27)