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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl]-2-(cyclopentylamino)-5-ethyl-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl]-2-(cyclopentylamino)-5-ethyl-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-2-(cyclopentylamino)-5-ethyl-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-2-(cyclopentylamino)-5-ethyl-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one Traditional Name: 3-(3-bromo-4-methoxy-benzyl)-2-(cyclopentylamino)-5-ethyl-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one Formula: C23H29BrN6O2 MolecularWeight: 501.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)NC4CCCC4)N5C1=NCCC5

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)NC4CCCC4)N5C1=NCCC5

InChI

InChI=1S/C23H29BrN6O2/c1-3-28-21(31)19-20(29-12-6-11-25-23(28)29)27-22(26-16-7-4-5-8-16)30(19)14-15-9-10-18(32-2)17(24)13-15/h9-10,13,16H,3-8,11-12,14H2,1-2H3,(H,26,27)